N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide

C15H24N2O2 — CID 107206573

IUPACN-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)CCCCCN)ccc1C
InChIInChI=1S/C15H24N2O2/c1-12-7-8-13(11-14(12)19-3)15(18)17(2)10-6-4-5-9-16/h7-8,11H,4-6,9-10,16H2,1-3H3
InChIKeyMOEFQJGLFOUZQL-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.20
Rot. Bonds7

About N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide

N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide (PubChem CID 107206573) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide
PubChem CID107206573
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)CCCCCN)ccc1C
InChIInChI=1S/C15H24N2O2/c1-12-7-8-13(11-14(12)19-3)15(18)17(2)10-6-4-5-9-16/h7-8,11H,4-6,9-10,16H2,1-3H3
InChIKeyMOEFQJGLFOUZQL-UHFFFAOYSA-N
XLogP2.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107206607
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide
CID 107205814
N-(4-aminobutyl)-3-methoxy-4-methylbenzamide
CID 60893959
N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide
CID 61350677
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
N-(3-aminopropyl)-4-methoxy-N-methyl-3-nitrobenzamide
CID 81483289
tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate
CID 52842366
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methoxy-N,4-dimethylbenzamide
CID 54991962
3-methoxy-N,4-dimethyl-N-(2-piperidin-4-ylethyl)benzamide
CID 60914907
N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 43457763

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide?
The IUPAC name of N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide (CID 107206573) is N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide.
What is the SMILES notation for N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide?
The canonical SMILES for N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide is COc1cc(C(=O)N(C)CCCCCN)ccc1C.
What is the InChIKey of N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide?
The InChIKey is MOEFQJGLFOUZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-7-8-13(11-14(12)19-3)15(18)17(2)10-6-4-5-9-16/h7-8,11H,4-6,9-10,16H2,1-3H3.
What are the key properties of N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide?
N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide is sourced from PubChem (CID 107206573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).