N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide

C14H17NO2 — CID 20803106

IUPACN-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C14H17NO2/c1-10(16)15-9-8-11-2-4-12(5-3-11)14(17)13-6-7-13/h2-5,13H,6-9H2,1H3,(H,15,16)
InChIKeyUYFPVCGFVWGRJQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.96
Rot. Bonds5

About N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide

N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide (PubChem CID 20803106) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide
PubChem CID20803106
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C14H17NO2/c1-10(16)15-9-8-11-2-4-12(5-3-11)14(17)13-6-7-13/h2-5,13H,6-9H2,1H3,(H,15,16)
InChIKeyUYFPVCGFVWGRJQ-UHFFFAOYSA-N
XLogP1.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
CID 142872622
(4-propan-2-ylcyclohexyl)-(4-propylphenyl)methanone
CID 65425046
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448
4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673195
2-[4-(cyclopropanecarbonyl)phenyl]ethyl 2-methylpropanoate
CID 175396158
(4-ethylphenyl)-(4-methylcyclohexyl)methanone
CID 63409487
cyclopropyl-[4-[2-(1-nitropropan-2-ylideneamino)ethyl]phenyl]methanone
CID 90703220
(4-butylphenyl)-cyclobutylmethanone;ethane
CID 177148339
cyclopentyl-(4-pentylphenyl)methanone
CID 146007805
N-[2-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]acetamide
CID 169341396
N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 110790662

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide (CID 20803106) is N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)C2CC2)cc1.
What is the InChIKey of N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide?
The InChIKey is UYFPVCGFVWGRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(16)15-9-8-11-2-4-12(5-3-11)14(17)13-6-7-13/h2-5,13H,6-9H2,1H3,(H,15,16).
What are the key properties of N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide?
N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide has a molecular weight of 231.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 20803106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).