4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide

C16H25N3O2 — CID 115358011

IUPAC4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCC1(CO)CCCC1
InChIInChI=1S/C16H25N3O2/c1-2-18-15(21)13-6-5-12(17)9-14(13)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)
InChIKeyDPIQUHYXAKSSQJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.98
Rot. Bonds6

About 4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide

4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide (PubChem CID 115358011) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
PubChem CID115358011
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCC1(CO)CCCC1
InChIInChI=1S/C16H25N3O2/c1-2-18-15(21)13-6-5-12(17)9-14(13)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)
InChIKeyDPIQUHYXAKSSQJ-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

4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358089
4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide
CID 105413915
3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990696
4-amino-N-ethyl-2-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 81133747
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 103965180
2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103965171
4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide
CID 106099441
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 115357784
5-amino-2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357710
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357739

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide?
The IUPAC name of 4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide (CID 115358011) is 4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide is CCNC(=O)c1ccc(N)cc1NCC1(CO)CCCC1.
What is the InChIKey of 4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide?
The InChIKey is DPIQUHYXAKSSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-18-15(21)13-6-5-12(17)9-14(13)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 4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide?
4-amino-N-ethyl-2-[[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 4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide is sourced from PubChem (CID 115358011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).