4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide

C16H25N3O — CID 63360616

IUPAC4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(NCCC2CCCC2)c1
InChIInChI=1S/C16H25N3O/c1-2-18-16(20)13-7-8-14(17)15(11-13)19-10-9-12-5-3-4-6-12/h7-8,11-12,19H,2-6,9-10,17H2,1H3,(H,18,20)
InChIKeyJNXVQVOUUBFTLV-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.01
Rot. Bonds6

About 4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide

4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide (PubChem CID 63360616) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
PubChem CID63360616
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(NCCC2CCCC2)c1
InChIInChI=1S/C16H25N3O/c1-2-18-16(20)13-7-8-14(17)15(11-13)19-10-9-12-5-3-4-6-12/h7-8,11-12,19H,2-6,9-10,17H2,1H3,(H,18,20)
InChIKeyJNXVQVOUUBFTLV-UHFFFAOYSA-N
XLogP3.01
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(cyclopentylamino)-N-ethylbenzamide
CID 63360547
4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide
CID 63358840
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
CID 83116178
4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide
CID 106007203
4-amino-N-ethyl-3-(2-piperidin-1-ylethylamino)benzamide
CID 63361068
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide
CID 63360956
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzamide
CID 55190007
2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate
CID 83201801
4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63820564
4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide
CID 63358647
3-amino-4-(2-cyclohexylethylamino)benzoic acid
CID 54887730

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide?
The IUPAC name of 4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide (CID 63360616) is 4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide.
What is the SMILES notation for 4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide?
The canonical SMILES for 4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide is CCNC(=O)c1ccc(N)c(NCCC2CCCC2)c1.
What is the InChIKey of 4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide?
The InChIKey is JNXVQVOUUBFTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-18-16(20)13-7-8-14(17)15(11-13)19-10-9-12-5-3-4-6-12/h7-8,11-12,19H,2-6,9-10,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide?
4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide is sourced from PubChem (CID 63360616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).