N-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide

C18H28N2O2 — CID 131906604

IUPACN-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide
SMILESCOc1cccc(C)c1C(=O)NCCCN(C)C1CCCC1
InChIInChI=1S/C18H28N2O2/c1-14-8-6-11-16(22-3)17(14)18(21)19-12-7-13-20(2)15-9-4-5-10-15/h6,8,11,15H,4-5,7,9-10,12-13H2,1-3H3,(H,19,21)
InChIKeyINYFSGGVBALURJ-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.00
Rot. Bonds7

About N-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide

N-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide (PubChem CID 131906604) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide.

Molecular Properties

Compound NameN-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide
PubChem CID131906604
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide
SMILESCOc1cccc(C)c1C(=O)NCCCN(C)C1CCCC1
InChIInChI=1S/C18H28N2O2/c1-14-8-6-11-16(22-3)17(14)18(21)19-12-7-13-20(2)15-9-4-5-10-15/h6,8,11,15H,4-5,7,9-10,12-13H2,1-3H3,(H,19,21)
InChIKeyINYFSGGVBALURJ-UHFFFAOYSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide
CID 110443900
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
CID 112685751
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide
CID 60981646
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119851139
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 15990959
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429053
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 64524298
N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide
CID 110444026
1-[3-[cyclohexyl(methyl)amino]propyl]-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 78879244
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide
CID 121420012

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide?
The IUPAC name of N-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide (CID 131906604) is N-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide.
What is the SMILES notation for N-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide?
The canonical SMILES for N-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide is COc1cccc(C)c1C(=O)NCCCN(C)C1CCCC1.
What is the InChIKey of N-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide?
The InChIKey is INYFSGGVBALURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14-8-6-11-16(22-3)17(14)18(21)19-12-7-13-20(2)15-9-4-5-10-15/h6,8,11,15H,4-5,7,9-10,12-13H2,1-3H3,(H,19,21).
What are the key properties of N-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide?
N-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide has a molecular weight of 304.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide is sourced from PubChem (CID 131906604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).