2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide

C15H23NO — CID 177202302

IUPAC2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)C(=O)NC(C)c1cccc(C(C)C)c1
InChIInChI=1S/C15H23NO/c1-10(2)13-7-6-8-14(9-13)12(5)16-15(17)11(3)4/h6-12H,1-5H3,(H,16,17)
InChIKeyWQHQIWSBQWIREC-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.64
Rot. Bonds4

About 2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide

2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide (PubChem CID 177202302) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide
PubChem CID177202302
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)C(=O)NC(C)c1cccc(C(C)C)c1
InChIInChI=1S/C15H23NO/c1-10(2)13-7-6-8-14(9-13)12(5)16-15(17)11(3)4/h6-12H,1-5H3,(H,16,17)
InChIKeyWQHQIWSBQWIREC-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
2-methyl-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 43011131
2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide
CID 47097502
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365342
2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol
CID 22486943
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 113353557
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61153949
N-[(1R)-1-naphthalen-2-ylethyl]-2,2-diphenylacetamide
CID 7899729

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide (CID 177202302) is 2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide is CC(C)C(=O)NC(C)c1cccc(C(C)C)c1.
What is the InChIKey of 2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide?
The InChIKey is WQHQIWSBQWIREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)13-7-6-8-14(9-13)12(5)16-15(17)11(3)4/h6-12H,1-5H3,(H,16,17).
What are the key properties of 2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide?
2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide has a molecular weight of 233.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 177202302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).