benzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate

C20H23N3O4 — CID 4075951

IUPACbenzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate
SMILESNC(=O)C(Cc1ccccc1)NC(=O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C20H23N3O4/c21-19(25)17(13-15-7-3-1-4-8-15)23-18(24)11-12-22-20(26)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H2,21,25)(H,22,26)(H,23,24)
InChIKeyLRVYEGIDLBTVRY-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.52
Rot. Bonds9

About benzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate

benzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate (PubChem CID 4075951) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is benzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate
PubChem CID4075951
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namebenzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate
SMILESNC(=O)C(Cc1ccccc1)NC(=O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C20H23N3O4/c21-19(25)17(13-15-7-3-1-4-8-15)23-18(24)11-12-22-20(26)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H2,21,25)(H,22,26)(H,23,24)
InChIKeyLRVYEGIDLBTVRY-UHFFFAOYSA-N
XLogP1.52
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 159595061
benzyl N-[5-amino-6-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-6-oxohexyl]carbamate
CID 123583612
benzyl N-[(2S)-1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 177394473
(2R)-3-phenyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid
CID 6992405
benzyl N-[(5S)-6-amino-5-[[(2S)-2-(chloroamino)-3-phenylpropanoyl]amino]-6-oxohexyl]carbamate
CID 126712953
2-[3-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenylpropanamide
CID 70938229
tert-butyl 2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoate
CID 155797460
benzyl N-[2-[[(2S)-1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 7410875
benzyl (2S)-2-[[2-[[3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropanoyl]amino]acetyl]amino]-3-phenylpropanoate
CID 101232758
(2R)-3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 54179329
benzyl (2R)-3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate
CID 92526571
benzyl N-[1-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 55948171

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate?
The IUPAC name of benzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate (CID 4075951) is benzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate?
The canonical SMILES for benzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate is NC(=O)C(Cc1ccccc1)NC(=O)CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate?
The InChIKey is LRVYEGIDLBTVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c21-19(25)17(13-15-7-3-1-4-8-15)23-18(24)11-12-22-20(26)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H2,21,25)(H,22,26)(H,23,24).
What are the key properties of benzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate?
benzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate has a molecular weight of 369.42 g/mol, XLogP of 1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 4075951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).