N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide

C12H17N3O3 — CID 108884122

IUPACN-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCC(C)O)c1
InChIInChI=1S/C12H17N3O3/c1-8(16)7-13-12(18)15-11-5-3-4-10(6-11)14-9(2)17/h3-6,8,16H,7H2,1-2H3,(H,14,17)(H2,13,15,18)
InChIKeyRXYPIAQERDTITI-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.15
Rot. Bonds4

About N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide

N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide (PubChem CID 108884122) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide
PubChem CID108884122
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCC(C)O)c1
InChIInChI=1S/C12H17N3O3/c1-8(16)7-13-12(18)15-11-5-3-4-10(6-11)14-9(2)17/h3-6,8,16H,7H2,1-2H3,(H,14,17)(H2,13,15,18)
InChIKeyRXYPIAQERDTITI-UHFFFAOYSA-N
XLogP1.15
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea
CID 47202587
2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid
CID 65219158
N-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide
CID 56794680
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865
1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea
CID 111444676
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
CID 47225795
N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide
CID 108884144
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
1-(2-hydroxypropyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871812
N-[3-(3,3-diphenylpropylcarbamoylamino)phenyl]acetamide
CID 31957316
1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea
CID 94819199
1-[3-(difluoromethyl)phenyl]-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea
CID 95981533

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide (CID 108884122) is N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)NCC(C)O)c1.
What is the InChIKey of N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide?
The InChIKey is RXYPIAQERDTITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(16)7-13-12(18)15-11-5-3-4-10(6-11)14-9(2)17/h3-6,8,16H,7H2,1-2H3,(H,14,17)(H2,13,15,18).
What are the key properties of N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide?
N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide has a molecular weight of 251.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 108884122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).