N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide

C26H43NO7 — CID 167490823

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide
SMILESCC(C)(CCOC1CC(OCc2ccccc2)C1)OCCC(C)(C)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C26H43NO7/c1-24(2,23(31)27-26(17-28,18-29)19-30)10-13-34-25(3,4)11-12-32-21-14-22(15-21)33-16-20-8-6-5-7-9-20/h5-9,21-22,28-30H,10-19H2,1-4H3,(H,27,31)
InChIKeyQFXJAKKUIJQLIK-UHFFFAOYSA-N
MW481.63 g/mol
LogP2.18
Rot. Bonds16

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide (PubChem CID 167490823) has the molecular formula C26H43NO7 and a molecular weight of 481.63 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide
PubChem CID167490823
Molecular FormulaC26H43NO7
Molecular Weight481.63 g/mol
Exact Mass481.30
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide
SMILESCC(C)(CCOC1CC(OCc2ccccc2)C1)OCCC(C)(C)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C26H43NO7/c1-24(2,23(31)27-26(17-28,18-29)19-30)10-13-34-25(3,4)11-12-32-21-14-22(15-21)33-16-20-8-6-5-7-9-20/h5-9,21-22,28-30H,10-19H2,1-4H3,(H,27,31)
InChIKeyQFXJAKKUIJQLIK-UHFFFAOYSA-N
XLogP2.18
TPSA117.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.63
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide with MolForge

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Launch Full Analysis

Related Compounds

1-Benzyloxy-3-(tert-butoxycarbonylamino)cyclobutane-3-carboxylic acid
CID 10782017
(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide
CID 101322217
N-[(5E,7E)-8-fluoro-1-hydroxy-5-methyldeca-5,7,9-trien-4-yl]-1-hydroxy-3-phenylmethoxycyclobutane-1-carboxamide
CID 177007885
Benzyl 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate
CID 12810417
Benzyl 4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]butanoate
CID 13344989
Benzyl 4-[[2-hydroxy-3,3-dimethyl-4-(2-methylpropanoyloxy)butanoyl]amino]butanoate
CID 13367336
Benzyl 4-[(4-acetyloxy-2-hydroxy-3,3-dimethylbutanoyl)amino]butanoate
CID 13367351
[3-Hydroxy-2,2-dimethyl-4-oxo-4-[(4-oxo-4-phenylmethoxybutyl)amino]butyl] pentanoate
CID 13367355
Ethyl 3-[1-benzyloxy-3-(tert-butoxycarbonylamino)cyclobutan-3-yl]-3-hydroxypropionate
CID 18427801
N-[1-hydroxy-2-(hydroxymethyl)-4-methoxy-4-(4-octylphenyl)butan-2-yl]acetamide
CID 25261295
N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]acetamide
CID 58853078
(R)-benzyl 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate
CID 66808498

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide (CID 167490823) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide is CC(C)(CCOC1CC(OCc2ccccc2)C1)OCCC(C)(C)C(=O)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide?
The InChIKey is QFXJAKKUIJQLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO7/c1-24(2,23(31)27-26(17-28,18-29)19-30)10-13-34-25(3,4)11-12-32-21-14-22(15-21)33-16-20-8-6-5-7-9-20/h5-9,21-22,28-30H,10-19H2,1-4H3,(H,27,31).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide has a molecular weight of 481.63 g/mol, XLogP of 2.18, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethyl-4-[2-methyl-4-(3-phenylmethoxycyclobutyl)oxybutan-2-yl]oxybutanamide is sourced from PubChem (CID 167490823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).