1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide

C16H23NO2 — CID 115182238

IUPAC1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCc1cc(C)c(C)c(CNC(=O)C2(CO)CC2)c1C
InChIInChI=1S/C16H23NO2/c1-10-7-11(2)13(4)14(12(10)3)8-17-15(19)16(9-18)5-6-16/h7,18H,5-6,8-9H2,1-4H3,(H,17,19)
InChIKeyKICRNHVGQXSMOD-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.31
Rot. Bonds4

About 1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide

1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 115182238) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID115182238
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCc1cc(C)c(C)c(CNC(=O)C2(CO)CC2)c1C
InChIInChI=1S/C16H23NO2/c1-10-7-11(2)13(4)14(12(10)3)8-17-15(19)16(9-18)5-6-16/h7,18H,5-6,8-9H2,1-4H3,(H,17,19)
InChIKeyKICRNHVGQXSMOD-UHFFFAOYSA-N
XLogP2.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.31
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-[(2,3,5,6-tetramethylphenyl)methyl]carbamoyl bromide
CID 115193571
N-[2-(3,4-dimethylphenyl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182374
2-methyl-3-oxo-3-[(2,3,5,6-tetramethylphenyl)methylamino]propanoic acid
CID 115164265
[1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 115243454
1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide
CID 115182209
2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid
CID 82494307
1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182408
3-chloro-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115162496
1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 115182270
3-amino-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclobutane-1-carboxamide
CID 115161513
1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242711

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide (CID 115182238) is 1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide is Cc1cc(C)c(C)c(CNC(=O)C2(CO)CC2)c1C.
What is the InChIKey of 1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is KICRNHVGQXSMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10-7-11(2)13(4)14(12(10)3)8-17-15(19)16(9-18)5-6-16/h7,18H,5-6,8-9H2,1-4H3,(H,17,19).
What are the key properties of 1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide?
1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 261.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115182238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).