2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide

C14H21N3O3 — CID 60668454

IUPAC2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NOCc1ccccc1
InChIInChI=1S/C14H21N3O3/c1-10(2)8-12(16-14(15)19)13(18)17-20-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,18)(H3,15,16,19)
InChIKeySPFBYUDWKPCPQW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.32
Rot. Bonds7

About 2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide

2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide (PubChem CID 60668454) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide
PubChem CID60668454
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NOCc1ccccc1
InChIInChI=1S/C14H21N3O3/c1-10(2)8-12(16-14(15)19)13(18)17-20-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,18)(H3,15,16,19)
InChIKeySPFBYUDWKPCPQW-UHFFFAOYSA-N
XLogP1.32
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid
CID 63929707
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate
CID 10402138
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
5-amino-2-methyl-N-phenylmethoxypentanamide
CID 104685201
benzyl (2R)-4-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]pentanoate
CID 59779081
benzyl (2S)-4-methyl-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoylamino]pentanoate
CID 14842513
2-hydroxy-5-methyl-N-phenylmethoxyhexanamide
CID 174417075
benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 14506335
(2S)-3-phenyl-2-[[(2S)-2-(phenylmethoxyamino)propanoyl]amino]propanoic acid
CID 142703988
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide
CID 10717280
2-bromo-3-methyl-N-phenylmethoxybutanamide
CID 64974144

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide?
The IUPAC name of 2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide (CID 60668454) is 2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide.
What is the SMILES notation for 2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide?
The canonical SMILES for 2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide is CC(C)CC(NC(N)=O)C(=O)NOCc1ccccc1.
What is the InChIKey of 2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide?
The InChIKey is SPFBYUDWKPCPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)8-12(16-14(15)19)13(18)17-20-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,18)(H3,15,16,19).
What are the key properties of 2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide?
2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide has a molecular weight of 279.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide is sourced from PubChem (CID 60668454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).