N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide

C17H26N2O — CID 80706039

IUPACN-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC2CCC(C)(C)C2)cc1
InChIInChI=1S/C17H26N2O/c1-13-4-6-14(7-5-13)16(20)19-11-10-18-15-8-9-17(2,3)12-15/h4-7,15,18H,8-12H2,1-3H3,(H,19,20)
InChIKeyJPPLVSGIRWUGQJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.89
Rot. Bonds5

About N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide

N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide (PubChem CID 80706039) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide
PubChem CID80706039
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC2CCC(C)(C)C2)cc1
InChIInChI=1S/C17H26N2O/c1-13-4-6-14(7-5-13)16(20)19-11-10-18-15-8-9-17(2,3)12-15/h4-7,15,18H,8-12H2,1-3H3,(H,19,20)
InChIKeyJPPLVSGIRWUGQJ-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide
CID 60965036
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-4-methylbenzamide
CID 106658655
N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide
CID 64751228
N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide
CID 80560795
N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide
CID 60965779
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide
CID 80693383
4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880620
N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride
CID 119742072
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119299588

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide (CID 80706039) is N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNC2CCC(C)(C)C2)cc1.
What is the InChIKey of N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is JPPLVSGIRWUGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-4-6-14(7-5-13)16(20)19-11-10-18-15-8-9-17(2,3)12-15/h4-7,15,18H,8-12H2,1-3H3,(H,19,20).
What are the key properties of N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide?
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 80706039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).