methyl 2-[(4-acetylphenyl)carbamoylamino]acetate

C12H14N2O4 — CID 39733012

IUPACmethyl 2-[(4-acetylphenyl)carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C12H14N2O4/c1-8(15)9-3-5-10(6-4-9)14-12(17)13-7-11(16)18-2/h3-6H,7H2,1-2H3,(H2,13,14,17)
InChIKeyNNSULKSSNDNLLY-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.18
Rot. Bonds4

About methyl 2-[(4-acetylphenyl)carbamoylamino]acetate

methyl 2-[(4-acetylphenyl)carbamoylamino]acetate (PubChem CID 39733012) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl 2-[(4-acetylphenyl)carbamoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-acetylphenyl)carbamoylamino]acetate
PubChem CID39733012
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Namemethyl 2-[(4-acetylphenyl)carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C12H14N2O4/c1-8(15)9-3-5-10(6-4-9)14-12(17)13-7-11(16)18-2/h3-6H,7H2,1-2H3,(H2,13,14,17)
InChIKeyNNSULKSSNDNLLY-UHFFFAOYSA-N
XLogP1.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylphenyl)-3-(methoxymethyl)urea
CID 110676030
methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate
CID 108875415
methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate
CID 115565125
2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid
CID 80549262
methyl 4-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoate
CID 127584836
1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 60724202
1-(4-acetylphenyl)-3-(phenoxymethyl)urea
CID 108888840
ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate
CID 38882652
1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea
CID 61347792
methyl N-(4-acetylphenyl)carbamate;propane
CID 177246404
1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea
CID 66175411
1-(4-acetylphenyl)-3-[2-(methanesulfonamido)ethyl]urea
CID 47022405

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-acetylphenyl)carbamoylamino]acetate?
The IUPAC name of methyl 2-[(4-acetylphenyl)carbamoylamino]acetate (CID 39733012) is methyl 2-[(4-acetylphenyl)carbamoylamino]acetate.
What is the SMILES notation for methyl 2-[(4-acetylphenyl)carbamoylamino]acetate?
The canonical SMILES for methyl 2-[(4-acetylphenyl)carbamoylamino]acetate is COC(=O)CNC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of methyl 2-[(4-acetylphenyl)carbamoylamino]acetate?
The InChIKey is NNSULKSSNDNLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-8(15)9-3-5-10(6-4-9)14-12(17)13-7-11(16)18-2/h3-6H,7H2,1-2H3,(H2,13,14,17).
What are the key properties of methyl 2-[(4-acetylphenyl)carbamoylamino]acetate?
methyl 2-[(4-acetylphenyl)carbamoylamino]acetate has a molecular weight of 250.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-acetylphenyl)carbamoylamino]acetate is sourced from PubChem (CID 39733012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).