4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide

C16H25N3O — CID 63820564

IUPAC4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCC2(C)CCCC2)c1
InChIInChI=1S/C16H25N3O/c1-3-18-15(20)12-6-7-13(17)14(10-12)19-11-16(2)8-4-5-9-16/h6-7,10,19H,3-5,8-9,11,17H2,1-2H3,(H,18,20)
InChIKeyGCGFCPRSQCFMGX-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.01
Rot. Bonds5

About 4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide

4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide (PubChem CID 63820564) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
PubChem CID63820564
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCC2(C)CCCC2)c1
InChIInChI=1S/C16H25N3O/c1-3-18-15(20)12-6-7-13(17)14(10-12)19-11-16(2)8-4-5-9-16/h6-7,10,19H,3-5,8-9,11,17H2,1-2H3,(H,18,20)
InChIKeyGCGFCPRSQCFMGX-UHFFFAOYSA-N
XLogP3.01
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309
4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide
CID 114755845
3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990696
4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
CID 63360616
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
CID 83116178
4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide
CID 65102655
4-amino-N-ethyl-3-(2-piperidin-1-ylethylamino)benzamide
CID 63361068
4-amino-3-(cyclopentylamino)-N-ethylbenzamide
CID 63360547
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide
CID 63981201
4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide
CID 63358840
4-amino-3-anilino-N-ethylbenzamide
CID 55188757

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide?
The IUPAC name of 4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide (CID 63820564) is 4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide is CCNC(=O)c1ccc(N)c(NCC2(C)CCCC2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide?
The InChIKey is GCGFCPRSQCFMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-18-15(20)12-6-7-13(17)14(10-12)19-11-16(2)8-4-5-9-16/h6-7,10,19H,3-5,8-9,11,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide?
4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide has a molecular weight of 275.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide is sourced from PubChem (CID 63820564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).