2-[(3-methylphenyl)carbamoylamino]acetamide

C10H13N3O2 — CID 47122532

IUPAC2-[(3-methylphenyl)carbamoylamino]acetamide
SMILESCc1cccc(NC(=O)NCC(N)=O)c1
InChIInChI=1S/C10H13N3O2/c1-7-3-2-4-8(5-7)13-10(15)12-6-9(11)14/h2-5H,6H2,1H3,(H2,11,14)(H2,12,13,15)
InChIKeyURIBTZRECHIGCH-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.60
Rot. Bonds3

About 2-[(3-methylphenyl)carbamoylamino]acetamide

2-[(3-methylphenyl)carbamoylamino]acetamide (PubChem CID 47122532) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[(3-methylphenyl)carbamoylamino]acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)carbamoylamino]acetamide
PubChem CID47122532
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-[(3-methylphenyl)carbamoylamino]acetamide
SMILESCc1cccc(NC(=O)NCC(N)=O)c1
InChIInChI=1S/C10H13N3O2/c1-7-3-2-4-8(5-7)13-10(15)12-6-9(11)14/h2-5H,6H2,1H3,(H2,11,14)(H2,12,13,15)
InChIKeyURIBTZRECHIGCH-UHFFFAOYSA-N
XLogP0.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
2-[(3-ethylphenyl)carbamoylamino]acetamide
CID 144801383
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide
CID 86983305
N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55677891
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
N-(2-amino-2-oxoethyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948584
1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea
CID 113283188
N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 86983414
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916197

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)carbamoylamino]acetamide?
The IUPAC name of 2-[(3-methylphenyl)carbamoylamino]acetamide (CID 47122532) is 2-[(3-methylphenyl)carbamoylamino]acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)carbamoylamino]acetamide?
The canonical SMILES for 2-[(3-methylphenyl)carbamoylamino]acetamide is Cc1cccc(NC(=O)NCC(N)=O)c1.
What is the InChIKey of 2-[(3-methylphenyl)carbamoylamino]acetamide?
The InChIKey is URIBTZRECHIGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-3-2-4-8(5-7)13-10(15)12-6-9(11)14/h2-5H,6H2,1H3,(H2,11,14)(H2,12,13,15).
What are the key properties of 2-[(3-methylphenyl)carbamoylamino]acetamide?
2-[(3-methylphenyl)carbamoylamino]acetamide has a molecular weight of 207.23 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)carbamoylamino]acetamide is sourced from PubChem (CID 47122532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).