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

C16H25N3O2 — CID 82990696

IUPAC3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCC2(CO)CCCC2)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-2-18-15(21)12-5-6-14(13(17)9-12)19-10-16(11-20)7-3-4-8-16/h5-6,9,19-20H,2-4,7-8,10-11,17H2,1H3,(H,18,21)
InChIKeyRZGJVBVFQKPSIO-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.98
Rot. Bonds6

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

3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide (PubChem CID 82990696) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
PubChem CID82990696
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCC2(CO)CCCC2)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-2-18-15(21)12-5-6-14(13(17)9-12)19-10-16(11-20)7-3-4-8-16/h5-6,9,19-20H,2-4,7-8,10-11,17H2,1H3,(H,18,21)
InChIKeyRZGJVBVFQKPSIO-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide
CID 82991043
4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358011
3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 82990686
4-amino-N-ethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzamide
CID 114755845
4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63820564
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 103965168
4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357758
3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide
CID 114155053
3-amino-4-anilino-N-ethylbenzamide
CID 82999542
3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990424
methyl 3-[2-amino-4-(ethylcarbamoyl)anilino]propanoate
CID 82999985
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide
CID 81413360

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide (CID 82990696) is 3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide is CCNC(=O)c1ccc(NCC2(CO)CCCC2)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide?
The InChIKey is RZGJVBVFQKPSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-18-15(21)12-5-6-14(13(17)9-12)19-10-16(11-20)7-3-4-8-16/h5-6,9,19-20H,2-4,7-8,10-11,17H2,1H3,(H,18,21).
What are the key properties of 3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide?
3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide has a molecular weight of 291.40 g/mol, XLogP of 1.98, 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-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide is sourced from PubChem (CID 82990696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).