ethylamino(phenyl)carbamic acid

C9H12N2O2 — CID 159582603

IUPACethylamino(phenyl)carbamic acid
SMILESCCNN(C(=O)O)c1ccccc1
InChIInChI=1S/C9H12N2O2/c1-2-10-11(9(12)13)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3,(H,12,13)
InChIKeyMJFCCJLSSMVJBJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.70
Rot. Bonds3

About ethylamino(phenyl)carbamic acid

ethylamino(phenyl)carbamic acid (PubChem CID 159582603) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is ethylamino(phenyl)carbamic acid.

Molecular Properties

Compound Nameethylamino(phenyl)carbamic acid
PubChem CID159582603
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Nameethylamino(phenyl)carbamic acid
SMILESCCNN(C(=O)O)c1ccccc1
InChIInChI=1S/C9H12N2O2/c1-2-10-11(9(12)13)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3,(H,12,13)
InChIKeyMJFCCJLSSMVJBJ-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(aminomethylamino)-phenylcarbamic acid
CID 141019452
tert-butyl N-[1-[N-(ethylamino)anilino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 91227691
N,N-bis(ethylamino)-1-phenylmethanamine
CID 139752469
1-(ethylcarbamothioylamino)-1-phenylurea
CID 22301401
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
methanesulfonamidomethyl(phenyl)carbamic acid
CID 89479428
(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid
CID 67427194
hydroxymethyl(phenyl)carbamic acid
CID 69165687
N-(ethylcarbamothioyl)-N-phenylbenzamide
CID 57059223
3-[N-(diethylcarbamoyl)anilino]propanoic acid
CID 61186963
N'-phenyl-N'-propylacetohydrazide
CID 100919129
cobalt;bis(diphenylcarbamic acid)
CID 155679078

Frequently Asked Questions

What is the IUPAC name of ethylamino(phenyl)carbamic acid?
The IUPAC name of ethylamino(phenyl)carbamic acid (CID 159582603) is ethylamino(phenyl)carbamic acid.
What is the SMILES notation for ethylamino(phenyl)carbamic acid?
The canonical SMILES for ethylamino(phenyl)carbamic acid is CCNN(C(=O)O)c1ccccc1.
What is the InChIKey of ethylamino(phenyl)carbamic acid?
The InChIKey is MJFCCJLSSMVJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-10-11(9(12)13)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3,(H,12,13).
What are the key properties of ethylamino(phenyl)carbamic acid?
ethylamino(phenyl)carbamic acid has a molecular weight of 180.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylamino(phenyl)carbamic acid is sourced from PubChem (CID 159582603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).