amino(benzhydryl)carbamic acid

C14H14N2O2 — CID 135383570

IUPACamino(benzhydryl)carbamic acid
SMILESNN(C(=O)O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14N2O2/c15-16(14(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H,17,18)
InChIKeyDQJFXYPRANZMKB-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.63
Rot. Bonds3

About amino(benzhydryl)carbamic acid

amino(benzhydryl)carbamic acid (PubChem CID 135383570) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is amino(benzhydryl)carbamic acid.

Molecular Properties

Compound Nameamino(benzhydryl)carbamic acid
PubChem CID135383570
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Nameamino(benzhydryl)carbamic acid
SMILESNN(C(=O)O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14N2O2/c15-16(14(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H,17,18)
InChIKeyDQJFXYPRANZMKB-UHFFFAOYSA-N
XLogP2.63
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-diaminourea;1-phenylethylbenzene
CID 174865335
benzoic acid;diphenylmethanamine
CID 3075109
2-amino-2-phenylacetic acid;benzene
CID 18446848
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
(2-amino-1-phenylpropyl)-carbamoylcarbamic acid
CID 175172899
[(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid
CID 68805705
benzenesulfinylbenzene;1,1-diaminourea
CID 174862633
(3R)-2-methyl-3-phenylbutanamide
CID 140836270
methyl(1-phenylethyl)carbamic acid
CID 67062794
[amino(phenyl)methyl] carbamate
CID 66688538
N,N-difluoro-1,1-diphenylmethanamine
CID 14965847

Frequently Asked Questions

What is the IUPAC name of amino(benzhydryl)carbamic acid?
The IUPAC name of amino(benzhydryl)carbamic acid (CID 135383570) is amino(benzhydryl)carbamic acid.
What is the SMILES notation for amino(benzhydryl)carbamic acid?
The canonical SMILES for amino(benzhydryl)carbamic acid is NN(C(=O)O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of amino(benzhydryl)carbamic acid?
The InChIKey is DQJFXYPRANZMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-16(14(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H,17,18).
What are the key properties of amino(benzhydryl)carbamic acid?
amino(benzhydryl)carbamic acid has a molecular weight of 242.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino(benzhydryl)carbamic acid is sourced from PubChem (CID 135383570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).