N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide

C15H23NO — CID 23577992

IUPACN-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide
SMILESCCCCC(=O)N(C)CCc1cccc(C)c1
InChIInChI=1S/C15H23NO/c1-4-5-9-15(17)16(3)11-10-14-8-6-7-13(2)12-14/h6-8,12H,4-5,9-11H2,1-3H3
InChIKeyVCELSBJGKOLORU-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.19
Rot. Bonds6

About N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide

N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide (PubChem CID 23577992) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide
PubChem CID23577992
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide
SMILESCCCCC(=O)N(C)CCc1cccc(C)c1
InChIInChI=1S/C15H23NO/c1-4-5-9-15(17)16(3)11-10-14-8-6-7-13(2)12-14/h6-8,12H,4-5,9-11H2,1-3H3
InChIKeyVCELSBJGKOLORU-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(ethylamino)-N-methyl-N-[2-(3-methylphenyl)ethyl]acetamide
CID 115158122
2-[methyl-[2-(3-methylphenyl)ethyl]amino]-2-oxoacetic acid
CID 82127746
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide
CID 115166756
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112995384
5-[2-(3-bromophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 115163898
2-methyl-3-[methyl-[2-(3-methylphenyl)ethyl]amino]-3-oxopropanoic acid
CID 115164386
ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate
CID 115257572
N,2-dimethyl-2-(methylamino)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 115165838
N-butyl-N-methyl-3-(3-methylanilino)propanamide
CID 109032339
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
2-amino-3-[methyl-[2-(3-methylphenyl)ethyl]amino]-3-oxopropanoic acid
CID 115179509

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide?
The IUPAC name of N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide (CID 23577992) is N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide?
The canonical SMILES for N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide is CCCCC(=O)N(C)CCc1cccc(C)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide?
The InChIKey is VCELSBJGKOLORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-5-9-15(17)16(3)11-10-14-8-6-7-13(2)12-14/h6-8,12H,4-5,9-11H2,1-3H3.
What are the key properties of N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide?
N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide has a molecular weight of 233.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide is sourced from PubChem (CID 23577992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).