4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide

C17H27N3O — CID 106007203

IUPAC4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCCCC2CCCC2)c1
InChIInChI=1S/C17H27N3O/c1-20(2)17(21)14-9-10-15(18)16(12-14)19-11-5-8-13-6-3-4-7-13/h9-10,12-13,19H,3-8,11,18H2,1-2H3
InChIKeySYJKCYYTZJCRFN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.35
Rot. Bonds6

About 4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide

4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide (PubChem CID 106007203) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide
PubChem CID106007203
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCCCC2CCCC2)c1
InChIInChI=1S/C17H27N3O/c1-20(2)17(21)14-9-10-15(18)16(12-14)19-11-5-8-13-6-3-4-7-13/h9-10,12-13,19H,3-8,11,18H2,1-2H3
InChIKeySYJKCYYTZJCRFN-UHFFFAOYSA-N
XLogP3.35
TPSA58.36 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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide
CID 115515375
4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
CID 63360616
4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide
CID 107411309
2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
CID 83202470
4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 63360878
4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309
4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 66169478
4-amino-3-(cyclohexylmethylamino)benzoic acid
CID 82785208
3-amino-4-(2-cyclohexylethylamino)benzoic acid
CID 54887730
4-amino-3-[2-(1-methylpiperidin-4-yl)ethylamino]benzoic acid
CID 114516574
4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide
CID 63358675
4-amino-3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylbenzamide
CID 63360796

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide (CID 106007203) is 4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)c(NCCCC2CCCC2)c1.
What is the InChIKey of 4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide?
The InChIKey is SYJKCYYTZJCRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(2)17(21)14-9-10-15(18)16(12-14)19-11-5-8-13-6-3-4-7-13/h9-10,12-13,19H,3-8,11,18H2,1-2H3.
What are the key properties of 4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide?
4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide is sourced from PubChem (CID 106007203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).