N-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide

C16H21NO2 — CID 102684551

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(C1CC1c1ccccc1)N(CCO)C1CCC1
InChIInChI=1S/C16H21NO2/c18-10-9-17(13-7-4-8-13)16(19)15-11-14(15)12-5-2-1-3-6-12/h1-3,5-6,13-15,18H,4,7-11H2
InChIKeyYDNDFBRUVOBYPQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.16
Rot. Bonds5

About N-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide

N-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 102684551) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID102684551
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(C1CC1c1ccccc1)N(CCO)C1CCC1
InChIInChI=1S/C16H21NO2/c18-10-9-17(13-7-4-8-13)16(19)15-11-14(15)12-5-2-1-3-6-12/h1-3,5-6,13-15,18H,4,7-11H2
InChIKeyYDNDFBRUVOBYPQ-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide
CID 102866442
N-(2-chloroethyl)-N-cyclobutyl-2-phenylcyclopropane-1-carboxamide
CID 102872552
2-phenyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 81494194
2-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 102860862
1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-phenylcyclopropyl)urea
CID 71937230
2-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978364
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
cis-(1R,2S)-N,N-bis[(2S)-butan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 40584792
trans-(1S,2S)-N-[(2S)-butan-2-yl]-N-[(2R)-butan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 98329771
cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 96998764
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
CID 3996003
trans-(1R,2R)-N-cyclopropyl-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 56743077

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide (CID 102684551) is N-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide is O=C(C1CC1c1ccccc1)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is YDNDFBRUVOBYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-10-9-17(13-7-4-8-13)16(19)15-11-14(15)12-5-2-1-3-6-12/h1-3,5-6,13-15,18H,4,7-11H2.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide?
N-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 102684551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).