difluoro(methoxy)methane;formaldehyde;(2S)-2-[(2-morpholin-4-ylacetyl)amino]-N-[1-oxo-1-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]-4-phenylbutanamide

C38H50F2N4O7 — CID 144576361

IUPACdifluoro(methoxy)methane;formaldehyde;(2S)-2-[(2-morpholin-4-ylacetyl)amino]-N-[1-oxo-1-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]-4-phenylbutanamide
SMILESC=O.CC(NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@H](COCc1ccccc1)Cc1ccccc1.COC(F)F
InChIInChI=1S/C35H44N4O5.C2H4F2O.CH2O/c1-27(34(41)37-31(23-29-13-7-3-8-14-29)26-44-25-30-15-9-4-10-16-30)36-35(42)32(18-17-28-11-5-2-6-12-28)38-33(40)24-39-19-21-43-22-20-39;1-5-2(3)4;1-2/h2-16,27,31-32H,17-26H2,1H3,(H,36,42)(H,37,41)(H,38,40);2H,1H3;1H2/t27?,31-,32-;;/m0../s1
InChIKeyQYJSMYDCDCBIFG-PMVZYQESSA-N
MW712.84 g/mol
LogP3.56
Rot. Bonds17

About difluoro(methoxy)methane;formaldehyde;(2S)-2-[(2-morpholin-4-ylacetyl)amino]-N-[1-oxo-1-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]-4-phenylbutanamide

difluoro(methoxy)methane;formaldehyde;(2S)-2-[(2-morpholin-4-ylacetyl)amino]-N-[1-oxo-1-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]-4-phenylbutanamide (PubChem CID 144576361) has the molecular formula C38H50F2N4O7 and a molecular weight of 712.84 g/mol. Its IUPAC name is difluoro(methoxy)methane;formaldehyde;(2S)-2-[(2-morpholin-4-ylacetyl)amino]-N-[1-oxo-1-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]-4-phenylbutanamide.

Molecular Properties

Compound Namedifluoro(methoxy)methane;formaldehyde;(2S)-2-[(2-morpholin-4-ylacetyl)amino]-N-[1-oxo-1-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]-4-phenylbutanamide
PubChem CID144576361
Molecular FormulaC38H50F2N4O7
Molecular Weight712.84 g/mol
Exact Mass712.36
IUPAC Namedifluoro(methoxy)methane;formaldehyde;(2S)-2-[(2-morpholin-4-ylacetyl)amino]-N-[1-oxo-1-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]-4-phenylbutanamide
SMILESC=O.CC(NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@H](COCc1ccccc1)Cc1ccccc1.COC(F)F
InChIInChI=1S/C35H44N4O5.C2H4F2O.CH2O/c1-27(34(41)37-31(23-29-13-7-3-8-14-29)26-44-25-30-15-9-4-10-16-30)36-35(42)32(18-17-28-11-5-2-6-12-28)38-33(40)24-39-19-21-43-22-20-39;1-5-2(3)4;1-2/h2-16,27,31-32H,17-26H2,1H3,(H,36,42)(H,37,41)(H,38,40);2H,1H3;1H2/t27?,31-,32-;;/m0../s1
InChIKeyQYJSMYDCDCBIFG-PMVZYQESSA-N
XLogP3.56
TPSA135.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500712.84
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-[[(2S)-3-(difluoromethoxy)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid
CID 118276478
benzyl (2S)-2-[[(2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]-3-phenylpropanoate
CID 118247689
benzyl (2S)-3-(difluoromethoxy)-2-[[(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoyl]amino]propanoate
CID 118247954
(2S)-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanoic acid
CID 118673135
(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoate
CID 163774011
benzyl 3-(difluoromethoxy)-2-[[2-[[3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoate
CID 123235425
4-methyl-N-[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-[[2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanamide
CID 163657390
4-(difluoromethoxy)-N-[(2S)-3-(difluoromethoxy)-1-[[1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-3-phenylpropanoyl]amino]butanamide
CID 144576447
(2S)-N-[(2S)-1-[[(2S,4S)-1-iodo-2,6-dimethyl-3-oxoheptan-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanamide
CID 90092565
3-[4-(methoxymethyl)phenyl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanoic acid
CID 176956106
(2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-(methoxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanamide
CID 155549178
(2S)-5-methyl-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]hexanamide
CID 146507439

Frequently Asked Questions

What is the IUPAC name of difluoro(methoxy)methane;formaldehyde;(2S)-2-[(2-morpholin-4-ylacetyl)amino]-N-[1-oxo-1-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]-4-phenylbutanamide?
The IUPAC name of difluoro(methoxy)methane;formaldehyde;(2S)-2-[(2-morpholin-4-ylacetyl)amino]-N-[1-oxo-1-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]-4-phenylbutanamide (CID 144576361) is difluoro(methoxy)methane;formaldehyde;(2S)-2-[(2-morpholin-4-ylacetyl)amino]-N-[1-oxo-1-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]-4-phenylbutanamide.
What is the SMILES notation for difluoro(methoxy)methane;formaldehyde;(2S)-2-[(2-morpholin-4-ylacetyl)amino]-N-[1-oxo-1-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]-4-phenylbutanamide?
The canonical SMILES for difluoro(methoxy)methane;formaldehyde;(2S)-2-[(2-morpholin-4-ylacetyl)amino]-N-[1-oxo-1-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]-4-phenylbutanamide is C=O.CC(NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@H](COCc1ccccc1)Cc1ccccc1.COC(F)F.
What is the InChIKey of difluoro(methoxy)methane;formaldehyde;(2S)-2-[(2-morpholin-4-ylacetyl)amino]-N-[1-oxo-1-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]-4-phenylbutanamide?
The InChIKey is QYJSMYDCDCBIFG-PMVZYQESSA-N. The full InChI is InChI=1S/C35H44N4O5.C2H4F2O.CH2O/c1-27(34(41)37-31(23-29-13-7-3-8-14-29)26-44-25-30-15-9-4-10-16-30)36-35(42)32(18-17-28-11-5-2-6-12-28)38-33(40)24-39-19-21-43-22-20-39;1-5-2(3)4;1-2/h2-16,27,31-32H,17-26H2,1H3,(H,36,42)(H,37,41)(H,38,40);2H,1H3;1H2/t27?,31-,32-;;/m0../s1.
What are the key properties of difluoro(methoxy)methane;formaldehyde;(2S)-2-[(2-morpholin-4-ylacetyl)amino]-N-[1-oxo-1-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]-4-phenylbutanamide?
difluoro(methoxy)methane;formaldehyde;(2S)-2-[(2-morpholin-4-ylacetyl)amino]-N-[1-oxo-1-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]-4-phenylbutanamide has a molecular weight of 712.84 g/mol, XLogP of 3.56, 17 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(methoxy)methane;formaldehyde;(2S)-2-[(2-morpholin-4-ylacetyl)amino]-N-[1-oxo-1-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]propan-2-yl]-4-phenylbutanamide is sourced from PubChem (CID 144576361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).