4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide

C16H25N3O — CID 63821309

IUPAC4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCC2(C)CCCC2)c1
InChIInChI=1S/C16H25N3O/c1-16(8-4-5-9-16)11-18-14-10-12(6-7-13(14)17)15(20)19(2)3/h6-7,10,18H,4-5,8-9,11,17H2,1-3H3
InChIKeyIDLGCOBEIMDJOS-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.96
Rot. Bonds4

About 4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide

4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide (PubChem CID 63821309) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
PubChem CID63821309
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCC2(C)CCCC2)c1
InChIInChI=1S/C16H25N3O/c1-16(8-4-5-9-16)11-18-14-10-12(6-7-13(14)17)15(20)19(2)3/h6-7,10,18H,4-5,8-9,11,17H2,1-3H3
InChIKeyIDLGCOBEIMDJOS-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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

4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63820564
4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide
CID 81133978
4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide
CID 113485307
3-amino-N,N-dimethyl-4-[(2-methylthiolan-2-yl)methylamino]benzamide
CID 82992962
4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 63361074
3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide
CID 82991043
4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide
CID 106007203
2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
CID 83202470
4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 66169478
4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 63360878
4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide
CID 65123098
4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 63358984

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide (CID 63821309) is 4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide is CN(C)C(=O)c1ccc(N)c(NCC2(C)CCCC2)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide?
The InChIKey is IDLGCOBEIMDJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(8-4-5-9-16)11-18-14-10-12(6-7-13(14)17)15(20)19(2)3/h6-7,10,18H,4-5,8-9,11,17H2,1-3H3.
What are the key properties of 4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide?
4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide is sourced from PubChem (CID 63821309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).