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

C14H21N3O3 — CID 64792800

IUPAC2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C14H21N3O3/c1-3-9(2)12(17-14(15)20)13(19)16-11-6-4-10(8-18)5-7-11/h4-7,9,12,18H,3,8H2,1-2H3,(H,16,19)(H3,15,17,20)
InChIKeyFJWRCDBWVKYTQB-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.20
Rot. Bonds6

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

2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide (PubChem CID 64792800) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide
PubChem CID64792800
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C14H21N3O3/c1-3-9(2)12(17-14(15)20)13(19)16-11-6-4-10(8-18)5-7-11/h4-7,9,12,18H,3,8H2,1-2H3,(H,16,19)(H3,15,17,20)
InChIKeyFJWRCDBWVKYTQB-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

2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide
CID 61221427
(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787
4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide
CID 24640883
2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 42908939
2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide
CID 4785458
2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 4780829
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 2569295
2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 3924237
(2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide
CID 51985199
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 2671676
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(carbamoylamino)-3-methylpentanamide
CID 112794952
(2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide
CID 2373139

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide (CID 64792800) is 2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide is CCC(C)C(NC(N)=O)C(=O)Nc1ccc(CO)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide?
The InChIKey is FJWRCDBWVKYTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-9(2)12(17-14(15)20)13(19)16-11-6-4-10(8-18)5-7-11/h4-7,9,12,18H,3,8H2,1-2H3,(H,16,19)(H3,15,17,20).
What are the key properties of 2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide?
2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-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-[4-(hydroxymethyl)phenyl]-3-methylpentanamide is sourced from PubChem (CID 64792800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).