N-methyl-N-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)acetamide

C17H23NO — CID 165355240

IUPACN-methyl-N-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)acetamide
SMILESCC1=C(CC(=O)N(C)c2ccccc2)CCC1(C)C
InChIInChI=1S/C17H23NO/c1-13-14(10-11-17(13,2)3)12-16(19)18(4)15-8-6-5-7-9-15/h5-9H,10-12H2,1-4H3
InChIKeySBQJQDWPLRWISJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.18
Rot. Bonds3

About N-methyl-N-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)acetamide

N-methyl-N-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)acetamide (PubChem CID 165355240) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)acetamide
PubChem CID165355240
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-methyl-N-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)acetamide
SMILESCC1=C(CC(=O)N(C)c2ccccc2)CCC1(C)C
InChIInChI=1S/C17H23NO/c1-13-14(10-11-17(13,2)3)12-16(19)18(4)15-8-6-5-7-9-15/h5-9H,10-12H2,1-4H3
InChIKeySBQJQDWPLRWISJ-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid
CID 115923550
2-(2,4-dimethylphenyl)-N-methyl-N-phenylacetamide
CID 100585469
N-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide
CID 110677412
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43442375
N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide
CID 109019309
2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide
CID 110773536
2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61070370
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
N-methyl-N-phenyl-2-pyrrol-1-ylacetamide
CID 110688597
N-methyl-2-(4-methyl-1,3-oxazol-5-yl)-N-phenylacetamide
CID 110679883
1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81167198
N,3-dimethyl-N-phenylpentanamide
CID 147359069

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)acetamide?
The IUPAC name of N-methyl-N-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)acetamide (CID 165355240) is N-methyl-N-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)acetamide?
The canonical SMILES for N-methyl-N-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)acetamide is CC1=C(CC(=O)N(C)c2ccccc2)CCC1(C)C.
What is the InChIKey of N-methyl-N-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)acetamide?
The InChIKey is SBQJQDWPLRWISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13-14(10-11-17(13,2)3)12-16(19)18(4)15-8-6-5-7-9-15/h5-9H,10-12H2,1-4H3.
What are the key properties of N-methyl-N-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)acetamide?
N-methyl-N-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)acetamide has a molecular weight of 257.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)acetamide is sourced from PubChem (CID 165355240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).