1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide

C14H19NO2 — CID 115182408

IUPAC1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccccc1CCNC(=O)C1(CO)CC1
InChIInChI=1S/C14H19NO2/c1-11-4-2-3-5-12(11)6-9-15-13(17)14(10-16)7-8-14/h2-5,16H,6-10H2,1H3,(H,15,17)
InChIKeyVKOVSWLXSWRODF-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.43
Rot. Bonds5

About 1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide

1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 115182408) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID115182408
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccccc1CCNC(=O)C1(CO)CC1
InChIInChI=1S/C14H19NO2/c1-11-4-2-3-5-12(11)6-9-15-13(17)14(10-16)7-8-14/h2-5,16H,6-10H2,1H3,(H,15,17)
InChIKeyVKOVSWLXSWRODF-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.43
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
N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182374
N-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide
CID 115184176
4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 79749001
1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 79756956
N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182419
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
1-(hydroxymethyl)-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182456
4-[[2-(2-methylphenyl)ethylcarbamoylamino]methyl]benzoic acid
CID 108899701
1-(hydroxymethyl)-N-[2-(5-methylfuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 115182418
3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 79749345
2-ethyl-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83072984

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide (CID 115182408) is 1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide is Cc1ccccc1CCNC(=O)C1(CO)CC1.
What is the InChIKey of 1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is VKOVSWLXSWRODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-4-2-3-5-12(11)6-9-15-13(17)14(10-16)7-8-14/h2-5,16H,6-10H2,1H3,(H,15,17).
What are the key properties of 1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide?
1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115182408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).