2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide

C21H27N3O2 — CID 135306568

IUPAC2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide
SMILESCC(C)NC(=O)C(C)NC(=O)C(N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-14(2)23-20(25)15(3)24-21(26)19(22)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15,19H,13,22H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyFOCCXVJCDNPXPX-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.25
Rot. Bonds7

About 2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide

2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide (PubChem CID 135306568) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide
PubChem CID135306568
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide
SMILESCC(C)NC(=O)C(C)NC(=O)C(N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-14(2)23-20(25)15(3)24-21(26)19(22)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15,19H,13,22H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyFOCCXVJCDNPXPX-UHFFFAOYSA-N
XLogP2.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
CID 18223062
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]butanedioic acid
CID 15086435
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid
CID 22215051
(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
CID 61180741
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]propanoic acid
CID 19950021
2-[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-3-phenylpropanoic acid
CID 19955185
[(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
CID 54374404
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 19950038
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]propanamide
CID 18598850
2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]pentanedioic acid
CID 18223065
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide?
The IUPAC name of 2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide (CID 135306568) is 2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide.
What is the SMILES notation for 2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide?
The canonical SMILES for 2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide is CC(C)NC(=O)C(C)NC(=O)C(N)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide?
The InChIKey is FOCCXVJCDNPXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(2)23-20(25)15(3)24-21(26)19(22)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15,19H,13,22H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide?
2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide is sourced from PubChem (CID 135306568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).