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

C14H22N2O — CID 114146406

IUPACN-(4-aminopentyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCCCC(C)N)c1
InChIInChI=1S/C14H22N2O/c1-10-7-11(2)9-13(8-10)14(17)16-6-4-5-12(3)15/h7-9,12H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyNZHBXYWVTZMTAY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.16
Rot. Bonds5

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

N-(4-aminopentyl)-3,5-dimethylbenzamide (PubChem CID 114146406) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(4-aminopentyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-aminopentyl)-3,5-dimethylbenzamide
PubChem CID114146406
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(4-aminopentyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCCCC(C)N)c1
InChIInChI=1S/C14H22N2O/c1-10-7-11(2)9-13(8-10)14(17)16-6-4-5-12(3)15/h7-9,12H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyNZHBXYWVTZMTAY-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3,5-dimethylbenzamide
CID 17190927
N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide
CID 106153590
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024
N-(4-aminopentyl)-4-tert-butylbenzamide
CID 106122499
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722
3,5-diamino-N-(4-hydroxypentyl)benzamide
CID 114145961
3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide
CID 113340834
5-[(3-chloro-5-methylbenzoyl)amino]-2-methylpentanoic acid
CID 113440696
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
N-(6-iodohexyl)-3,5-dimethylbenzamide
CID 107848408
N-(4-aminopentyl)-2,6-dimethylbenzamide
CID 106122701
3-amino-5-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006167

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(4-aminopentyl)-3,5-dimethylbenzamide (CID 114146406) is N-(4-aminopentyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(4-aminopentyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(4-aminopentyl)-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCCCC(C)N)c1.
What is the InChIKey of N-(4-aminopentyl)-3,5-dimethylbenzamide?
The InChIKey is NZHBXYWVTZMTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-7-11(2)9-13(8-10)14(17)16-6-4-5-12(3)15/h7-9,12H,4-6,15H2,1-3H3,(H,16,17).
What are the key properties of N-(4-aminopentyl)-3,5-dimethylbenzamide?
N-(4-aminopentyl)-3,5-dimethylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 114146406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).