1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide

C18H28N2O — CID 106910485

IUPAC1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide
SMILESCCC1(C(=O)Nc2ccc(CNC(C)C)cc2)CCCC1
InChIInChI=1S/C18H28N2O/c1-4-18(11-5-6-12-18)17(21)20-16-9-7-15(8-10-16)13-19-14(2)3/h7-10,14,19H,4-6,11-13H2,1-3H3,(H,20,21)
InChIKeyRHCHZDQFQCRKDO-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.09
Rot. Bonds6

About 1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide

1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide (PubChem CID 106910485) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide
PubChem CID106910485
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide
SMILESCCC1(C(=O)Nc2ccc(CNC(C)C)cc2)CCCC1
InChIInChI=1S/C18H28N2O/c1-4-18(11-5-6-12-18)17(21)20-16-9-7-15(8-10-16)13-19-14(2)3/h7-10,14,19H,4-6,11-13H2,1-3H3,(H,20,21)
InChIKeyRHCHZDQFQCRKDO-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide 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

3-[4-[(1-ethylcyclopentanecarbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541391
4-ethyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 63127797
4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid
CID 103925771
N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide
CID 106910393
5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide
CID 106910472
2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 15498276
2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide
CID 106910392
N-(6-amino-3-pyridinyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119515973
N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide
CID 164882968
3-ethyl-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 55166292
4-ethyl-N-phenyl-1-propan-2-ylpiperidine-4-carboxamide
CID 155455844
N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 133245841

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide (CID 106910485) is 1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide is CCC1(C(=O)Nc2ccc(CNC(C)C)cc2)CCCC1.
What is the InChIKey of 1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide?
The InChIKey is RHCHZDQFQCRKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-18(11-5-6-12-18)17(21)20-16-9-7-15(8-10-16)13-19-14(2)3/h7-10,14,19H,4-6,11-13H2,1-3H3,(H,20,21).
What are the key properties of 1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide?
1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 106910485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).