3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide

C16H25N3O — CID 107411021

IUPAC3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
SMILESCC1CCC(CNC(=O)c2ccc(N(C)C)c(N)c2)C1
InChIInChI=1S/C16H25N3O/c1-11-4-5-12(8-11)10-18-16(20)13-6-7-15(19(2)3)14(17)9-13/h6-7,9,11-12H,4-5,8,10,17H2,1-3H3,(H,18,20)
InChIKeyKYBMPJDXWKKNKN-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.50
Rot. Bonds4

About 3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide

3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide (PubChem CID 107411021) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
PubChem CID107411021
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
SMILESCC1CCC(CNC(=O)c2ccc(N(C)C)c(N)c2)C1
InChIInChI=1S/C16H25N3O/c1-11-4-5-12(8-11)10-18-16(20)13-6-7-15(19(2)3)14(17)9-13/h6-7,9,11-12H,4-5,8,10,17H2,1-3H3,(H,18,20)
InChIKeyKYBMPJDXWKKNKN-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
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-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001
4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010
3-amino-N-(2-cyclopentylethyl)-4-(dimethylamino)benzamide
CID 61102345
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853
3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide
CID 61466151
4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107414832
3-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16795062
2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid
CID 110488287
4-(ethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107415191
3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098981
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 61090890

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide (CID 107411021) is 3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide is CC1CCC(CNC(=O)c2ccc(N(C)C)c(N)c2)C1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide?
The InChIKey is KYBMPJDXWKKNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-4-5-12(8-11)10-18-16(20)13-6-7-15(19(2)3)14(17)9-13/h6-7,9,11-12H,4-5,8,10,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide?
3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 107411021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).