3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide

C16H25N3O — CID 61094001

IUPAC3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCC2CCCCC2)cc1N
InChIInChI=1S/C16H25N3O/c1-19(2)15-9-8-13(10-14(15)17)16(20)18-11-12-6-4-3-5-7-12/h8-10,12H,3-7,11,17H2,1-2H3,(H,18,20)
InChIKeyPDHWWGQLJJYMKV-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.64
Rot. Bonds4

About 3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide

3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide (PubChem CID 61094001) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
PubChem CID61094001
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCC2CCCCC2)cc1N
InChIInChI=1S/C16H25N3O/c1-19(2)15-9-8-13(10-14(15)17)16(20)18-11-12-6-4-3-5-7-12/h8-10,12H,3-7,11,17H2,1-2H3,(H,18,20)
InChIKeyPDHWWGQLJJYMKV-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-cyclopentylethyl)-4-(dimethylamino)benzamide
CID 61102345
3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411021
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
3-amino-4-bromo-N-(cyclopentylmethyl)benzamide
CID 61095376
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853
3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 61090890
3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid
CID 110488287
3-amino-4-(dimethylamino)-N-(3-ethylcyclohexyl)benzamide
CID 64747811
3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098981
3-amino-4-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 61094954

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide?
The IUPAC name of 3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide (CID 61094001) is 3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide.
What is the SMILES notation for 3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide?
The canonical SMILES for 3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NCC2CCCCC2)cc1N.
What is the InChIKey of 3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide?
The InChIKey is PDHWWGQLJJYMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(2)15-9-8-13(10-14(15)17)16(20)18-11-12-6-4-3-5-7-12/h8-10,12H,3-7,11,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide?
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 61094001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).