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

C15H23N3O3 — CID 61221427

IUPAC2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C15H23N3O3/c1-3-10(2)13(18-15(16)21)14(20)17-12-6-4-11(5-7-12)8-9-19/h4-7,10,13,19H,3,8-9H2,1-2H3,(H,17,20)(H3,16,18,21)
InChIKeyBLGNJZTZQPFPNY-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.24
Rot. Bonds7

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

2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide (PubChem CID 61221427) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide
PubChem CID61221427
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C15H23N3O3/c1-3-10(2)13(18-15(16)21)14(20)17-12-6-4-11(5-7-12)8-9-19/h4-7,10,13,19H,3,8-9H2,1-2H3,(H,17,20)(H3,16,18,21)
InChIKeyBLGNJZTZQPFPNY-UHFFFAOYSA-N
XLogP1.24
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide
CID 64792800
(2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide
CID 51985199
(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787
2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 42908939
4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide
CID 24640883
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,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 2671676
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(carbamoylamino)-3-methylpentanamide
CID 112794952

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide (CID 61221427) is 2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide is CCC(C)C(NC(N)=O)C(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide?
The InChIKey is BLGNJZTZQPFPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-10(2)13(18-15(16)21)14(20)17-12-6-4-11(5-7-12)8-9-19/h4-7,10,13,19H,3,8-9H2,1-2H3,(H,17,20)(H3,16,18,21).
What are the key properties of 2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide?
2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide has a molecular weight of 293.37 g/mol, XLogP of 1.24, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide is sourced from PubChem (CID 61221427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).