2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide

C14H21N3O3 — CID 60629921

IUPAC2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C14H21N3O3/c1-9(2)6-12(17-14(15)20)13(19)16-11-5-3-4-10(7-11)8-18/h3-5,7,9,12,18H,6,8H2,1-2H3,(H,16,19)(H3,15,17,20)
InChIKeyVTULFMIKBMPUOC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.20
Rot. Bonds6

About 2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide

2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide (PubChem CID 60629921) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide
PubChem CID60629921
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C14H21N3O3/c1-9(2)6-12(17-14(15)20)13(19)16-11-5-3-4-10(7-11)8-18/h3-5,7,9,12,18H,6,8H2,1-2H3,(H,16,19)(H3,15,17,20)
InChIKeyVTULFMIKBMPUOC-UHFFFAOYSA-N
XLogP1.20
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(hydroxymethyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 112766703
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 61179301
(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
CID 7910463
4-methyl-2-(3-methylbutanoylamino)-N-[3-[[4-methyl-2-(3-methylbutanoylamino)pentanoyl]amino]phenyl]pentanamide
CID 74926917
2-(carbamoylamino)-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 24636305
(2S)-2-(carbamoylamino)-4-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 40880076
(2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide
CID 2572487
2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide
CID 107232747
N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide
CID 155724825
N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide
CID 111118110
N-[1-(3-ethylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 22422552
N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 111487110

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide (CID 60629921) is 2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide is CC(C)CC(NC(N)=O)C(=O)Nc1cccc(CO)c1.
What is the InChIKey of 2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide?
The InChIKey is VTULFMIKBMPUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)6-12(17-14(15)20)13(19)16-11-5-3-4-10(7-11)8-18/h3-5,7,9,12,18H,6,8H2,1-2H3,(H,16,19)(H3,15,17,20).
What are the key properties of 2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide?
2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide has a molecular weight of 279.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 60629921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).