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

C16H25N3O — CID 107411309

IUPAC4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide
SMILESCC1CCC(CNc2cc(C(=O)N(C)C)ccc2N)C1
InChIInChI=1S/C16H25N3O/c1-11-4-5-12(8-11)10-18-15-9-13(6-7-14(15)17)16(20)19(2)3/h6-7,9,11-12,18H,4-5,8,10,17H2,1-3H3
InChIKeyHIMZERGXLIPXJL-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.82
Rot. Bonds4

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

4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide (PubChem CID 107411309) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide
PubChem CID107411309
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide
SMILESCC1CCC(CNc2cc(C(=O)N(C)C)ccc2N)C1
InChIInChI=1S/C16H25N3O/c1-11-4-5-12(8-11)10-18-15-9-13(6-7-14(15)17)16(20)19(2)3/h6-7,9,11-12,18H,4-5,8,10,17H2,1-3H3
InChIKeyHIMZERGXLIPXJL-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide (CID 107411309) is 4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide is CC1CCC(CNc2cc(C(=O)N(C)C)ccc2N)C1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide?
The InChIKey is HIMZERGXLIPXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-4-5-12(8-11)10-18-15-9-13(6-7-14(15)17)16(20)19(2)3/h6-7,9,11-12,18H,4-5,8,10,17H2,1-3H3.
What are the key properties of 4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide?
4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.82, 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-[(3-methylcyclopentyl)methylamino]benzamide is sourced from PubChem (CID 107411309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).