N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide

C14H19NO2 — CID 79543844

IUPACN-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide
SMILESCC(O)CN(C)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-10(16)9-15(2)14(17)13-8-12(13)11-6-4-3-5-7-11/h3-7,10,12-13,16H,8-9H2,1-2H3
InChIKeyIXPWVHPGZSCTKC-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.63
Rot. Bonds4

About N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide

N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide (PubChem CID 79543844) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide
PubChem CID79543844
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide
SMILESCC(O)CN(C)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-10(16)9-15(2)14(17)13-8-12(13)11-6-4-3-5-7-11/h3-7,10,12-13,16H,8-9H2,1-2H3
InChIKeyIXPWVHPGZSCTKC-UHFFFAOYSA-N
XLogP1.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-N-[(2S)-butan-2-yl]-N-[(2R)-butan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 98329771
cis-(1R,2S)-N,N-bis[(2S)-butan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 40584792
2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide
CID 111695531
trans-(1R,2R)-N-methyl-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 56754710
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 142111486
cis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 124738810
(2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
CID 124693260
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
CID 71864033
2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
CID 111695134
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703822

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide (CID 79543844) is N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide is CC(O)CN(C)C(=O)C1CC1c1ccccc1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide?
The InChIKey is IXPWVHPGZSCTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(16)9-15(2)14(17)13-8-12(13)11-6-4-3-5-7-11/h3-7,10,12-13,16H,8-9H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide?
N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 79543844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).