(2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide

C21H27N3O2 — CID 157238222

IUPAC(2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-3-15(2)19(22)21(26)23-14-18(25)24-20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,19-20H,3,14,22H2,1-2H3,(H,23,26)(H,24,25)/t15-,19-/m0/s1
InChIKeyAUWXSYZEUCLABD-KXBFYZLASA-N
MW353.47 g/mol
LogP2.38
Rot. Bonds8

About (2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide (PubChem CID 157238222) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide
PubChem CID157238222
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-3-15(2)19(22)21(26)23-14-18(25)24-20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,19-20H,3,14,22H2,1-2H3,(H,23,26)(H,24,25)/t15-,19-/m0/s1
InChIKeyAUWXSYZEUCLABD-KXBFYZLASA-N
XLogP2.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61173876
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
CID 61251907
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 43708998
(2S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-4-methylsulfanylbutanamide
CID 70070653
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
CID 18294480
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoic acid
CID 18294518
(2S)-2-[[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 145456149
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]acetyl]amino]-3-methylbutanoic acid
CID 18294365

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide (CID 157238222) is (2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide?
The InChIKey is AUWXSYZEUCLABD-KXBFYZLASA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-15(2)19(22)21(26)23-14-18(25)24-20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,19-20H,3,14,22H2,1-2H3,(H,23,26)(H,24,25)/t15-,19-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide has a molecular weight of 353.47 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide is sourced from PubChem (CID 157238222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).