(benzylamino)-(2-phenylethyl)carbamic acid

C16H18N2O2 — CID 151569328

IUPAC(benzylamino)-(2-phenylethyl)carbamic acid
SMILESO=C(O)N(CCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C16H18N2O2/c19-16(20)18(12-11-14-7-3-1-4-8-14)17-13-15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,19,20)
InChIKeyQECPWJZDKYEIQH-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.91
Rot. Bonds6

About (benzylamino)-(2-phenylethyl)carbamic acid

(benzylamino)-(2-phenylethyl)carbamic acid (PubChem CID 151569328) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (benzylamino)-(2-phenylethyl)carbamic acid.

Molecular Properties

Compound Name(benzylamino)-(2-phenylethyl)carbamic acid
PubChem CID151569328
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(benzylamino)-(2-phenylethyl)carbamic acid
SMILESO=C(O)N(CCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C16H18N2O2/c19-16(20)18(12-11-14-7-3-1-4-8-14)17-13-15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,19,20)
InChIKeyQECPWJZDKYEIQH-UHFFFAOYSA-N
XLogP2.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.91
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

hydroxy(2-phenylethyl)carbamic acid
CID 87254387
N-(benzylamino)-N-methylhydroxylamine
CID 118091017
1,1,3-tris(2-phenylethyl)urea
CID 123287811
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
1-hydroxy-1-(2-phenylethyl)urea
CID 10241398
azane;3-(dibenzylamino)propanoic acid
CID 162310692
[4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid
CID 143540214
benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 142890889
2-[4-[(2-phenylethylamino)methyl]phenyl]acetic acid
CID 103234125
1,2-dibenzyl-1-methylhydrazine
CID 57145827
2,4-dioxo-4-[2-phenylethyl(propan-2-yl)amino]butanoic acid
CID 142214418
1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
CID 71940977

Frequently Asked Questions

What is the IUPAC name of (benzylamino)-(2-phenylethyl)carbamic acid?
The IUPAC name of (benzylamino)-(2-phenylethyl)carbamic acid (CID 151569328) is (benzylamino)-(2-phenylethyl)carbamic acid.
What is the SMILES notation for (benzylamino)-(2-phenylethyl)carbamic acid?
The canonical SMILES for (benzylamino)-(2-phenylethyl)carbamic acid is O=C(O)N(CCc1ccccc1)NCc1ccccc1.
What is the InChIKey of (benzylamino)-(2-phenylethyl)carbamic acid?
The InChIKey is QECPWJZDKYEIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(20)18(12-11-14-7-3-1-4-8-14)17-13-15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,19,20).
What are the key properties of (benzylamino)-(2-phenylethyl)carbamic acid?
(benzylamino)-(2-phenylethyl)carbamic acid has a molecular weight of 270.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (benzylamino)-(2-phenylethyl)carbamic acid is sourced from PubChem (CID 151569328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).