3-(benzylamino)-N-(2-phenylethyl)propanamide

C18H22N2O — CID 109018924

IUPAC3-(benzylamino)-N-(2-phenylethyl)propanamide
SMILESO=C(CCNCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H22N2O/c21-18(20-14-11-16-7-3-1-4-8-16)12-13-19-15-17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H,20,21)
InChIKeyNQPNDUIIXNURPF-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.53
Rot. Bonds8

About 3-(benzylamino)-N-(2-phenylethyl)propanamide

3-(benzylamino)-N-(2-phenylethyl)propanamide (PubChem CID 109018924) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(benzylamino)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(benzylamino)-N-(2-phenylethyl)propanamide
PubChem CID109018924
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(benzylamino)-N-(2-phenylethyl)propanamide
SMILESO=C(CCNCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H22N2O/c21-18(20-14-11-16-7-3-1-4-8-16)12-13-19-15-17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H,20,21)
InChIKeyNQPNDUIIXNURPF-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
3-(pentylamino)-N-(2-phenylethyl)propanamide
CID 109024121
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
CID 109018753
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019936
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020851
4-amino-N-(2-phenylethyl)-4-sulfanylidenebutanamide
CID 94263404
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(benzylamino)-N-(2-phenylethyl)propanamide (CID 109018924) is 3-(benzylamino)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(benzylamino)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(benzylamino)-N-(2-phenylethyl)propanamide is O=C(CCNCc1ccccc1)NCCc1ccccc1.
What is the InChIKey of 3-(benzylamino)-N-(2-phenylethyl)propanamide?
The InChIKey is NQPNDUIIXNURPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18(20-14-11-16-7-3-1-4-8-16)12-13-19-15-17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H,20,21).
What are the key properties of 3-(benzylamino)-N-(2-phenylethyl)propanamide?
3-(benzylamino)-N-(2-phenylethyl)propanamide has a molecular weight of 282.39 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 109018924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).