2-(benzylcarbamoylamino)-4-methyl-N-(2-oxopentan-3-yl)pentanamide

C19H29N3O3 — CID 166719691

IUPAC2-(benzylcarbamoylamino)-4-methyl-N-(2-oxopentan-3-yl)pentanamide
SMILESCCC(NC(=O)C(CC(C)C)NC(=O)NCc1ccccc1)C(C)=O
InChIInChI=1S/C19H29N3O3/c1-5-16(14(4)23)21-18(24)17(11-13(2)3)22-19(25)20-12-15-9-7-6-8-10-15/h6-10,13,16-17H,5,11-12H2,1-4H3,(H,21,24)(H2,20,22,25)
InChIKeyUDMRRHIMRBSKEI-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.38
Rot. Bonds9

About 2-(benzylcarbamoylamino)-4-methyl-N-(2-oxopentan-3-yl)pentanamide

2-(benzylcarbamoylamino)-4-methyl-N-(2-oxopentan-3-yl)pentanamide (PubChem CID 166719691) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-4-methyl-N-(2-oxopentan-3-yl)pentanamide.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-4-methyl-N-(2-oxopentan-3-yl)pentanamide
PubChem CID166719691
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-(benzylcarbamoylamino)-4-methyl-N-(2-oxopentan-3-yl)pentanamide
SMILESCCC(NC(=O)C(CC(C)C)NC(=O)NCc1ccccc1)C(C)=O
InChIInChI=1S/C19H29N3O3/c1-5-16(14(4)23)21-18(24)17(11-13(2)3)22-19(25)20-12-15-9-7-6-8-10-15/h6-10,13,16-17H,5,11-12H2,1-4H3,(H,21,24)(H2,20,22,25)
InChIKeyUDMRRHIMRBSKEI-UHFFFAOYSA-N
XLogP2.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(benzylcarbamoylamino)-N-[1,2-dioxo-1-[(4-phenylphenyl)methylamino]pentan-3-yl]-4-methylpentanamide
CID 167427951
(2S)-2-(benzylcarbamoylamino)-N-[1-[(2-bromophenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide
CID 166709313
(2S)-2-(benzylcarbamoylamino)-N-[(2S)-4-fluoro-3-oxo-1-phenylbutan-2-yl]-4-methylpentanamide
CID 102330804
(2S)-2-(benzylcarbamoylamino)-N-[(3S)-1-[(3,5-dimethoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide
CID 156831751
2-(benzylcarbamoylamino)-4-methyl-N-[1-[(2-nitrophenyl)methylamino]-1,2-dioxopentan-3-yl]pentanamide
CID 166709312
1-benzyl-3-butan-2-ylurea
CID 10512480
(2S)-2-(benzylcarbamoylamino)-N-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,2-dioxopentan-3-yl]-4-methylpentanamide
CID 166709297
(2S)-4-methyl-2-(methylamino)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]pentanamide
CID 122429933
(2S)-2-(benzylcarbamoylamino)-4-methyl-N-[1-[(1-methylbenzimidazol-5-yl)methylamino]-1,2-dioxopentan-3-yl]pentanamide
CID 166709412
[(1R)-1-[[(2S)-2-[[(2S)-2-(benzylcarbamoylamino)-3-(3-chlorophenyl)propanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropyl]boronic acid
CID 176661833
2-[(4-fluorophenyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 3676816
tert-butyl 2-[[2-(benzylcarbamoylamino)-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 70058969

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-4-methyl-N-(2-oxopentan-3-yl)pentanamide?
The IUPAC name of 2-(benzylcarbamoylamino)-4-methyl-N-(2-oxopentan-3-yl)pentanamide (CID 166719691) is 2-(benzylcarbamoylamino)-4-methyl-N-(2-oxopentan-3-yl)pentanamide.
What is the SMILES notation for 2-(benzylcarbamoylamino)-4-methyl-N-(2-oxopentan-3-yl)pentanamide?
The canonical SMILES for 2-(benzylcarbamoylamino)-4-methyl-N-(2-oxopentan-3-yl)pentanamide is CCC(NC(=O)C(CC(C)C)NC(=O)NCc1ccccc1)C(C)=O.
What is the InChIKey of 2-(benzylcarbamoylamino)-4-methyl-N-(2-oxopentan-3-yl)pentanamide?
The InChIKey is UDMRRHIMRBSKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-16(14(4)23)21-18(24)17(11-13(2)3)22-19(25)20-12-15-9-7-6-8-10-15/h6-10,13,16-17H,5,11-12H2,1-4H3,(H,21,24)(H2,20,22,25).
What are the key properties of 2-(benzylcarbamoylamino)-4-methyl-N-(2-oxopentan-3-yl)pentanamide?
2-(benzylcarbamoylamino)-4-methyl-N-(2-oxopentan-3-yl)pentanamide has a molecular weight of 347.46 g/mol, XLogP of 2.38, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-4-methyl-N-(2-oxopentan-3-yl)pentanamide is sourced from PubChem (CID 166719691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).