N-[2-(benzylamino)ethyl]propanamide

C12H18N2O — CID 54513126

IUPACN-[2-(benzylamino)ethyl]propanamide
SMILESCCC(=O)NCCNCc1ccccc1
InChIInChI=1S/C12H18N2O/c1-2-12(15)14-9-8-13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3,(H,14,15)
InChIKeyFVKXSZWQAKQVBI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.30
Rot. Bonds6

About N-[2-(benzylamino)ethyl]propanamide

N-[2-(benzylamino)ethyl]propanamide (PubChem CID 54513126) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[2-(benzylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(benzylamino)ethyl]propanamide
PubChem CID54513126
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[2-(benzylamino)ethyl]propanamide
SMILESCCC(=O)NCCNCc1ccccc1
InChIInChI=1S/C12H18N2O/c1-2-12(15)14-9-8-13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3,(H,14,15)
InChIKeyFVKXSZWQAKQVBI-UHFFFAOYSA-N
XLogP1.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(benzylamino)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(benzylamino)ethyl]-2-phenoxyacetamide
CID 12876184
N-[2-[[4-(2-phenylethyl)phenyl]methylamino]ethyl]acetamide
CID 11437928
3-(benzylamino)-N-(2-phenylethyl)propanamide
CID 109018924
tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
CID 14418525
N'-benzyl-N-propylpropanediamide
CID 108940601
phenyl N-[2-(benzylamino)ethyl]carbamate
CID 59371189
2-(benzylamino)ethyl propanoate
CID 10988499
N-[2-[(4-phenylphenyl)methylamino]ethyl]acetamide
CID 28684450
N-benzyl-3-oxopentanamide
CID 10632061
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
N-benzylethanamine;tris(yttrium)
CID 158198357

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)ethyl]propanamide?
The IUPAC name of N-[2-(benzylamino)ethyl]propanamide (CID 54513126) is N-[2-(benzylamino)ethyl]propanamide.
What is the SMILES notation for N-[2-(benzylamino)ethyl]propanamide?
The canonical SMILES for N-[2-(benzylamino)ethyl]propanamide is CCC(=O)NCCNCc1ccccc1.
What is the InChIKey of N-[2-(benzylamino)ethyl]propanamide?
The InChIKey is FVKXSZWQAKQVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-12(15)14-9-8-13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3,(H,14,15).
What are the key properties of N-[2-(benzylamino)ethyl]propanamide?
N-[2-(benzylamino)ethyl]propanamide has a molecular weight of 206.29 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)ethyl]propanamide is sourced from PubChem (CID 54513126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).