N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide

C15H21N3O2 — CID 62836488

IUPACN-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide
SMILESCCNCCC(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-2-16-9-8-14(19)17-12-4-3-5-13(10-12)18-15(20)11-6-7-11/h3-5,10-11,16H,2,6-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyROVWQFOWRRMYFO-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.97
Rot. Bonds7

About N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide

N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide (PubChem CID 62836488) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide
PubChem CID62836488
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide
SMILESCCNCCC(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-2-16-9-8-14(19)17-12-4-3-5-13(10-12)18-15(20)11-6-7-11/h3-5,10-11,16H,2,6-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyROVWQFOWRRMYFO-UHFFFAOYSA-N
XLogP1.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide 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-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191
3-[3-(ethylamino)propanoylamino]benzoic acid
CID 62835721
N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide
CID 54794464
3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide
CID 62831539
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570451
N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 55573150
N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide
CID 107444617
N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119710490

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide (CID 62836488) is N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide is CCNCCC(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is ROVWQFOWRRMYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-16-9-8-14(19)17-12-4-3-5-13(10-12)18-15(20)11-6-7-11/h3-5,10-11,16H,2,6-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide?
N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 62836488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).