4-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide

C24H32N4O4 — CID 57249762

IUPAC4-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide
SMILESCNC(=O)CCCc1ccccc1NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC
InChIInChI=1S/C24H32N4O4/c1-16(27-24(32)21(25-2)15-17-11-13-19(29)14-12-17)23(31)28-20-9-5-4-7-18(20)8-6-10-22(30)26-3/h4-5,7,9,11-14,16,21,25,29H,6,8,10,15H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)/t16-,21+/m1/s1
InChIKeyMAZRXTOFZQSVLS-IERDGZPVSA-N
MW440.54 g/mol
LogP1.73
Rot. Bonds11

About 4-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide

4-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide (PubChem CID 57249762) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 4-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide
PubChem CID57249762
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name4-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide
SMILESCNC(=O)CCCc1ccccc1NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC
InChIInChI=1S/C24H32N4O4/c1-16(27-24(32)21(25-2)15-17-11-13-19(29)14-12-17)23(31)28-20-9-5-4-7-18(20)8-6-10-22(30)26-3/h4-5,7,9,11-14,16,21,25,29H,6,8,10,15H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)/t16-,21+/m1/s1
InChIKeyMAZRXTOFZQSVLS-IERDGZPVSA-N
XLogP1.73
TPSA119.56 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 51.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide;hydrate;hydrochloride
CID 70444577
4-[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]phenyl]-N-(2-phenylethyl)butanamide;phosphoric acid
CID 70443321
(2S)-2-[[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]acetyl]amino]-N-(3-methylsulfinylpropyl)-3-phenylpropanamide
CID 22810695
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
CID 70568931
(2S)-3-(4-hydroxyphenyl)-2-(methylamino)-N-[(2R)-1-[[2-[methyl-[(2S)-1-(3-methylsulfanylpropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
CID 70587204
2-[[4-methyl-2-[[2-(methylamino)-3-phenylpropanoyl]amino]pentanoyl]amino]benzoic acid
CID 162945768
3-(4-hydroxyphenyl)-2-(methylamino)-N'-(3-oxobutan-2-yl)propanehydrazide
CID 169232226
(2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 61149131
(2R,5S)-6-(4-hydroxyphenyl)-N-methyl-5-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-4-oxo-2-[4-(propan-2-ylamino)butyl]hexanamide
CID 123230352
(2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 7016072
(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[2-(4-phenyldiazenylphenyl)acetyl]amino]propanoyl]amino]propanoic acid
CID 53349741
N-methyl-4-(2-methylphenyl)butanamide
CID 67667120

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide?
The IUPAC name of 4-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide (CID 57249762) is 4-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide.
What is the SMILES notation for 4-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide?
The canonical SMILES for 4-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide is CNC(=O)CCCc1ccccc1NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC.
What is the InChIKey of 4-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide?
The InChIKey is MAZRXTOFZQSVLS-IERDGZPVSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-16(27-24(32)21(25-2)15-17-11-13-19(29)14-12-17)23(31)28-20-9-5-4-7-18(20)8-6-10-22(30)26-3/h4-5,7,9,11-14,16,21,25,29H,6,8,10,15H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)/t16-,21+/m1/s1.
What are the key properties of 4-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide?
4-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide has a molecular weight of 440.54 g/mol, XLogP of 1.73, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide is sourced from PubChem (CID 57249762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).