N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

C15H21NO2 — CID 115182374

IUPACN-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCc1ccc(CCNC(=O)C2(CO)CC2)cc1C
InChIInChI=1S/C15H21NO2/c1-11-3-4-13(9-12(11)2)5-8-16-14(18)15(10-17)6-7-15/h3-4,9,17H,5-8,10H2,1-2H3,(H,16,18)
InChIKeyQCVHLEWHCNGICF-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.73
Rot. Bonds5

About N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 115182374) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID115182374
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCc1ccc(CCNC(=O)C2(CO)CC2)cc1C
InChIInChI=1S/C15H21NO2/c1-11-3-4-13(9-12(11)2)5-8-16-14(18)15(10-17)6-7-15/h3-4,9,17H,5-8,10H2,1-2H3,(H,16,18)
InChIKeyQCVHLEWHCNGICF-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182400
1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182408
1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182752
1-(hydroxymethyl)-N-[2-(5-methylfuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 115182418
1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115184171
1-[2-(4-fluoro-3-methylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181931
1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189923
2-amino-N-[2-(3,4-dimethylphenyl)ethyl]acetamide
CID 82492265
N-[2-(3,4-dimethylphenyl)ethyl]-3-oxobutanamide
CID 115176506
1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775625
2-amino-3-[2-(3,4-dimethylphenyl)ethylamino]-3-oxopropanoic acid
CID 115179434
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (CID 115182374) is N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is Cc1ccc(CCNC(=O)C2(CO)CC2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is QCVHLEWHCNGICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-3-4-13(9-12(11)2)5-8-16-14(18)15(10-17)6-7-15/h3-4,9,17H,5-8,10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115182374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).