4-amino-N,3-dimethyl-N-pentylbenzamide

C14H22N2O — CID 43294398

IUPAC4-amino-N,3-dimethyl-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C14H22N2O/c1-4-5-6-9-16(3)14(17)12-7-8-13(15)11(2)10-12/h7-8,10H,4-6,9,15H2,1-3H3
InChIKeyMTTCFOCIZDGGRJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.84
Rot. Bonds5

About 4-amino-N,3-dimethyl-N-pentylbenzamide

4-amino-N,3-dimethyl-N-pentylbenzamide (PubChem CID 43294398) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-pentylbenzamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-N-pentylbenzamide
PubChem CID43294398
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-amino-N,3-dimethyl-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C14H22N2O/c1-4-5-6-9-16(3)14(17)12-7-8-13(15)11(2)10-12/h7-8,10H,4-6,9,15H2,1-3H3
InChIKeyMTTCFOCIZDGGRJ-UHFFFAOYSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-bromo-N-methyl-N-pentylbenzamide
CID 61093599
4-amino-N,N-dibutyl-3-methylbenzamide
CID 28982328
4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 54905965
4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112656332
2-methyl-5-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 65371307
4-amino-3-methyl-N-octylbenzamide
CID 115565914
4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374613
4-iodo-N-methyl-N-pentylbenzamide
CID 61400602
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide
CID 107205681
3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide
CID 175536796
methyl 4-[(3-amino-4-methylbenzoyl)-methylamino]butanoate
CID 60947543

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-pentylbenzamide?
The IUPAC name of 4-amino-N,3-dimethyl-N-pentylbenzamide (CID 43294398) is 4-amino-N,3-dimethyl-N-pentylbenzamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-N-pentylbenzamide?
The canonical SMILES for 4-amino-N,3-dimethyl-N-pentylbenzamide is CCCCCN(C)C(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 4-amino-N,3-dimethyl-N-pentylbenzamide?
The InChIKey is MTTCFOCIZDGGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-5-6-9-16(3)14(17)12-7-8-13(15)11(2)10-12/h7-8,10H,4-6,9,15H2,1-3H3.
What are the key properties of 4-amino-N,3-dimethyl-N-pentylbenzamide?
4-amino-N,3-dimethyl-N-pentylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-dimethyl-N-pentylbenzamide is sourced from PubChem (CID 43294398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).