1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide

C16H23NO2 — CID 115182400

IUPAC1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1cc(C)c(CCNC(=O)C2(CO)CC2)cc1C
InChIInChI=1S/C16H23NO2/c1-11-8-13(3)14(9-12(11)2)4-7-17-15(19)16(10-18)5-6-16/h8-9,18H,4-7,10H2,1-3H3,(H,17,19)
InChIKeyLUJHWFZLUTZQRF-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.04
Rot. Bonds5

About 1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide

1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 115182400) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID115182400
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1cc(C)c(CCNC(=O)C2(CO)CC2)cc1C
InChIInChI=1S/C16H23NO2/c1-11-8-13(3)14(9-12(11)2)4-7-17-15(19)16(10-18)5-6-16/h8-9,18H,4-7,10H2,1-3H3,(H,17,19)
InChIKeyLUJHWFZLUTZQRF-UHFFFAOYSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182374
1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182408
1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115182238
1-(hydroxymethyl)-N-[2-(5-methylfuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 115182418
2-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 115175921
2-sulfanyl-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 115167394
N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182419
N-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide
CID 115184176
2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 115173278
1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189978
1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182752
N-(3-hydroxypropyl)-2-(2,4,5-trimethylphenyl)acetamide
CID 96661088

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide (CID 115182400) is 1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide is Cc1cc(C)c(CCNC(=O)C2(CO)CC2)cc1C.
What is the InChIKey of 1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is LUJHWFZLUTZQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-8-13(3)14(9-12(11)2)4-7-17-15(19)16(10-18)5-6-16/h8-9,18H,4-7,10H2,1-3H3,(H,17,19).
What are the key properties of 1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide?
1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 261.36 g/mol, XLogP of 2.04, 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-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115182400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).