2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide

C17H27N3O — CID 78915363

IUPAC2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNCC2(N(C)C)CCCC2)c1
InChIInChI=1S/C17H27N3O/c1-14-7-6-8-15(11-14)19-16(21)12-18-13-17(20(2)3)9-4-5-10-17/h6-8,11,18H,4-5,9-10,12-13H2,1-3H3,(H,19,21)
InChIKeyNNSLRWOLYPNDNB-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.40
Rot. Bonds6

About 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide

2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide (PubChem CID 78915363) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide
PubChem CID78915363
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNCC2(N(C)C)CCCC2)c1
InChIInChI=1S/C17H27N3O/c1-14-7-6-8-15(11-14)19-16(21)12-18-13-17(20(2)3)9-4-5-10-17/h6-8,11,18H,4-5,9-10,12-13H2,1-3H3,(H,19,21)
InChIKeyNNSLRWOLYPNDNB-UHFFFAOYSA-N
XLogP2.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(3-methylphenyl)acetamide
CID 62518654
2-[1-(methylamino)cyclohexyl]-N-(3-methylphenyl)acetamide
CID 65240773
2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide
CID 65051099
2-[(1-aminocyclopentyl)methoxy]-N-(3-methylphenyl)acetamide
CID 64573088
2-[(4-ethylcyclohexyl)methylamino]-N-(3-methylphenyl)acetamide
CID 60972732
2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide
CID 41411938
2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide
CID 99818114
2-(2-cyclopentylethylamino)-N-(3-methylphenyl)acetamide
CID 54932599
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide
CID 28572661
(2R)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(3-methylphenoxy)propanamide
CID 94109673
N-carbamoyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
CID 78915468
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
CID 103820281

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide (CID 78915363) is 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CNCC2(N(C)C)CCCC2)c1.
What is the InChIKey of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide?
The InChIKey is NNSLRWOLYPNDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-7-6-8-15(11-14)19-16(21)12-18-13-17(20(2)3)9-4-5-10-17/h6-8,11,18H,4-5,9-10,12-13H2,1-3H3,(H,19,21).
What are the key properties of 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide?
2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 78915363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).