N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide

C18H28N2O2 — CID 173102117

IUPACN-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)CC
InChIInChI=1S/C18H28N2O2/c1-5-10-14(4)19-18(22)16(13(3)6-2)20-17(21)15-11-8-7-9-12-15/h7-9,11-14,16H,5-6,10H2,1-4H3,(H,19,22)(H,20,21)/t13?,14-,16+/m1/s1
InChIKeyUFLKDZWIDZLDCC-VVRWDSKXSA-N
MW304.43 g/mol
LogP3.14
Rot. Bonds8

About N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide

N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide (PubChem CID 173102117) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
PubChem CID173102117
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)CC
InChIInChI=1S/C18H28N2O2/c1-5-10-14(4)19-18(22)16(13(3)6-2)20-17(21)15-11-8-7-9-12-15/h7-9,11-14,16H,5-6,10H2,1-4H3,(H,19,22)(H,20,21)/t13?,14-,16+/m1/s1
InChIKeyUFLKDZWIDZLDCC-VVRWDSKXSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 120507870
N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 42988908
N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119665970
N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 98641458
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
CID 39953572
N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613190
N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119528058
N-[1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 78512632
(2S)-2-[[(2S,3S)-3-methyl-2-[(1-oxidopyridin-1-ium-4-carbonyl)amino]pentanoyl]amino]pentanoic acid
CID 58905552

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide (CID 173102117) is N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide is CCC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)CC.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide?
The InChIKey is UFLKDZWIDZLDCC-VVRWDSKXSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-10-14(4)19-18(22)16(13(3)6-2)20-17(21)15-11-8-7-9-12-15/h7-9,11-14,16H,5-6,10H2,1-4H3,(H,19,22)(H,20,21)/t13?,14-,16+/m1/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide?
N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide has a molecular weight of 304.43 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide is sourced from PubChem (CID 173102117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).