[3-(2-acetamidoethyl)phenyl]carbamic acid

C11H14N2O3 — CID 69174088

IUPAC[3-(2-acetamidoethyl)phenyl]carbamic acid
SMILESCC(=O)NCCc1cccc(NC(=O)O)c1
InChIInChI=1S/C11H14N2O3/c1-8(14)12-6-5-9-3-2-4-10(7-9)13-11(15)16/h2-4,7,13H,5-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyMSZUMDHWDVQSMT-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.46
Rot. Bonds4

About [3-(2-acetamidoethyl)phenyl]carbamic acid

[3-(2-acetamidoethyl)phenyl]carbamic acid (PubChem CID 69174088) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is [3-(2-acetamidoethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[3-(2-acetamidoethyl)phenyl]carbamic acid
PubChem CID69174088
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name[3-(2-acetamidoethyl)phenyl]carbamic acid
SMILESCC(=O)NCCc1cccc(NC(=O)O)c1
InChIInChI=1S/C11H14N2O3/c1-8(14)12-6-5-9-3-2-4-10(7-9)13-11(15)16/h2-4,7,13H,5-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyMSZUMDHWDVQSMT-UHFFFAOYSA-N
XLogP1.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]acetamide
CID 111134733
N-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide
CID 118883103
N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108884258
2-[3-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]phenyl]acetic acid
CID 119352064
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide
CID 108952578
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
CID 135331594
N-[2-[(3-chlorophenyl)carbamothioylamino]ethyl]acetamide
CID 3872004
2,3-dimethyl-4-[2-(3-methylphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 76992295
N-[3-(sulfanylmethyl)phenyl]acetamide
CID 17308

Frequently Asked Questions

What is the IUPAC name of [3-(2-acetamidoethyl)phenyl]carbamic acid?
The IUPAC name of [3-(2-acetamidoethyl)phenyl]carbamic acid (CID 69174088) is [3-(2-acetamidoethyl)phenyl]carbamic acid.
What is the SMILES notation for [3-(2-acetamidoethyl)phenyl]carbamic acid?
The canonical SMILES for [3-(2-acetamidoethyl)phenyl]carbamic acid is CC(=O)NCCc1cccc(NC(=O)O)c1.
What is the InChIKey of [3-(2-acetamidoethyl)phenyl]carbamic acid?
The InChIKey is MSZUMDHWDVQSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(14)12-6-5-9-3-2-4-10(7-9)13-11(15)16/h2-4,7,13H,5-6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of [3-(2-acetamidoethyl)phenyl]carbamic acid?
[3-(2-acetamidoethyl)phenyl]carbamic acid has a molecular weight of 222.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-acetamidoethyl)phenyl]carbamic acid is sourced from PubChem (CID 69174088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).