3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide

C16H25N3O2 — CID 82990424

IUPAC3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCC2CCCC2CO)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-2-18-16(21)11-6-7-15(14(17)8-11)19-9-12-4-3-5-13(12)10-20/h6-8,12-13,19-20H,2-5,9-10,17H2,1H3,(H,18,21)
InChIKeyZQEKFJTYQBJGQO-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.84
Rot. Bonds6

About 3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide

3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide (PubChem CID 82990424) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide
PubChem CID82990424
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCC2CCCC2CO)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-2-18-16(21)11-6-7-15(14(17)8-11)19-9-12-4-3-5-13(12)10-20/h6-8,12-13,19-20H,2-5,9-10,17H2,1H3,(H,18,21)
InChIKeyZQEKFJTYQBJGQO-UHFFFAOYSA-N
XLogP1.84
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide
CID 83000421
4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide
CID 63358840
3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 82989904
3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide
CID 107416557
3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide
CID 82990421
3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990696
3-amino-4-[(2,2-dimethylcyclohexyl)amino]-N-ethylbenzamide
CID 82990439
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
3-amino-N-ethyl-4-[(2-methylcyclopropyl)amino]benzamide
CID 82999769
3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide
CID 114155053
4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
CID 63360616
3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide
CID 106358993

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide (CID 82990424) is 3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide is CCNC(=O)c1ccc(NCC2CCCC2CO)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide?
The InChIKey is ZQEKFJTYQBJGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-18-16(21)11-6-7-15(14(17)8-11)19-9-12-4-3-5-13(12)10-20/h6-8,12-13,19-20H,2-5,9-10,17H2,1H3,(H,18,21).
What are the key properties of 3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide?
3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide has a molecular weight of 291.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide is sourced from PubChem (CID 82990424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).