3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide

C15H23N3O2 — CID 106358993

IUPAC3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC2CCCC2CO)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-18(2)15(20)10-6-7-14(12(16)8-10)17-13-5-3-4-11(13)9-19/h6-8,11,13,17,19H,3-5,9,16H2,1-2H3
InChIKeyFJYNDJSHXBWKBZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.54
Rot. Bonds4

About 3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide

3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide (PubChem CID 106358993) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide
PubChem CID106358993
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC2CCCC2CO)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-18(2)15(20)10-6-7-14(12(16)8-10)17-13-5-3-4-11(13)9-19/h6-8,11,13,17,19H,3-5,9,16H2,1-2H3
InChIKeyFJYNDJSHXBWKBZ-UHFFFAOYSA-N
XLogP1.54
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(2-ethylcyclopropyl)amino]-N,N-dimethylbenzamide
CID 114107499
3-amino-4-[(2-methylcyclopentyl)amino]benzamide
CID 63278285
4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide
CID 106358913
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide
CID 82992240
[2-(4-amino-2-bromoanilino)cyclopentyl]methanol
CID 106358958
[2-(4-amino-2-chloroanilino)cyclopentyl]methanol
CID 106359015
3-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
CID 106364831
3-[(2-ethylcyclopentyl)amino]-N,N-dimethylbenzamide
CID 115928650
3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990424
[2-(2-amino-5-methoxyanilino)cyclopentyl]methanol
CID 114178402
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid
CID 106361825
3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide
CID 82989654

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide (CID 106358993) is 3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC2CCCC2CO)c(N)c1.
What is the InChIKey of 3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide?
The InChIKey is FJYNDJSHXBWKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(2)15(20)10-6-7-14(12(16)8-10)17-13-5-3-4-11(13)9-19/h6-8,11,13,17,19H,3-5,9,16H2,1-2H3.
What are the key properties of 3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide?
3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 106358993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).