4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide

C15H23N3O2 — CID 65102756

IUPAC4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)cc1NCC1(O)CCCC1
InChIInChI=1S/C15H23N3O2/c1-18(2)14(19)12-6-5-11(16)9-13(12)17-10-15(20)7-3-4-8-15/h5-6,9,17,20H,3-4,7-8,10,16H2,1-2H3
InChIKeyDGEVQMJQVOLCRL-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.69
Rot. Bonds4

About 4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide

4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide (PubChem CID 65102756) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide
PubChem CID65102756
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)cc1NCC1(O)CCCC1
InChIInChI=1S/C15H23N3O2/c1-18(2)14(19)12-6-5-11(16)9-13(12)17-10-15(20)7-3-4-8-15/h5-6,9,17,20H,3-4,7-8,10,16H2,1-2H3
InChIKeyDGEVQMJQVOLCRL-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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

4-amino-N-ethyl-2-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 81133747
4-amino-N,N-dimethyl-2-(2-methylprop-2-enylamino)benzamide
CID 114615222
4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 79866956
4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide
CID 65115543
4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide
CID 105413915
4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide
CID 105413811
1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol
CID 65102596
1-[(4-amino-2-chloroanilino)methyl]cycloheptan-1-ol
CID 65123434
4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide
CID 106099441
4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358011
4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide
CID 106183600
4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358089

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide (CID 65102756) is 4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)cc1NCC1(O)CCCC1.
What is the InChIKey of 4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is DGEVQMJQVOLCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(2)14(19)12-6-5-11(16)9-13(12)17-10-15(20)7-3-4-8-15/h5-6,9,17,20H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of 4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide?
4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 65102756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).