4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide

C14H21N3O2 — CID 106358913

IUPAC4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1NC1CCCC1CO
InChIInChI=1S/C14H21N3O2/c1-16-14(19)11-6-5-10(15)7-13(11)17-12-4-2-3-9(12)8-18/h5-7,9,12,17-18H,2-4,8,15H2,1H3,(H,16,19)
InChIKeyUACRRPUGNDXWIL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.20
Rot. Bonds4

About 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide

4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide (PubChem CID 106358913) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide
PubChem CID106358913
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1NC1CCCC1CO
InChIInChI=1S/C14H21N3O2/c1-16-14(19)11-6-5-10(15)7-13(11)17-12-4-2-3-9(12)8-18/h5-7,9,12,17-18H,2-4,8,15H2,1H3,(H,16,19)
InChIKeyUACRRPUGNDXWIL-UHFFFAOYSA-N
XLogP1.20
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.20
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

[2-(4-amino-2-chloroanilino)cyclopentyl]methanol
CID 106359015
[2-(4-amino-2-bromoanilino)cyclopentyl]methanol
CID 106358958
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid
CID 106361825
3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide
CID 106358993
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
[2-(2-amino-5-methoxyanilino)cyclopentyl]methanol
CID 114178402
6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 103718492
2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 114178387
5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358647
4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide
CID 80585073
4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 106358785
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-nitrobenzoic acid
CID 106361797

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide?
The IUPAC name of 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide (CID 106358913) is 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(N)cc1NC1CCCC1CO.
What is the InChIKey of 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide?
The InChIKey is UACRRPUGNDXWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-14(19)11-6-5-10(15)7-13(11)17-12-4-2-3-9(12)8-18/h5-7,9,12,17-18H,2-4,8,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide?
4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide is sourced from PubChem (CID 106358913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).