4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide

C17H26N2O — CID 64922349

IUPAC4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide
SMILESCCC1CCC(NCc2ccc(C(=O)NC)cc2)C1C
InChIInChI=1S/C17H26N2O/c1-4-14-9-10-16(12(14)2)19-11-13-5-7-15(8-6-13)17(20)18-3/h5-8,12,14,16,19H,4,9-11H2,1-3H3,(H,18,20)
InChIKeyASNKLGLEONOTQD-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.96
Rot. Bonds5

About 4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide

4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide (PubChem CID 64922349) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide
PubChem CID64922349
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide
SMILESCCC1CCC(NCc2ccc(C(=O)NC)cc2)C1C
InChIInChI=1S/C17H26N2O/c1-4-14-9-10-16(12(14)2)19-11-13-5-7-15(8-6-13)17(20)18-3/h5-8,12,14,16,19H,4,9-11H2,1-3H3,(H,18,20)
InChIKeyASNKLGLEONOTQD-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
CID 64921530
N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline
CID 64921729
3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine
CID 64921747
4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-N-methylbenzamide
CID 43121641
methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate
CID 64922524
N-methyl-4-[(thian-4-ylamino)methyl]benzamide
CID 43329353
4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide
CID 62961122
3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine
CID 66409422
4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide
CID 60984984
2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylacetamide
CID 64921195
N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 81437054

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide (CID 64922349) is 4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide is CCC1CCC(NCc2ccc(C(=O)NC)cc2)C1C.
What is the InChIKey of 4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide?
The InChIKey is ASNKLGLEONOTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-14-9-10-16(12(14)2)19-11-13-5-7-15(8-6-13)17(20)18-3/h5-8,12,14,16,19H,4,9-11H2,1-3H3,(H,18,20).
What are the key properties of 4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide?
4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 64922349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).