N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide

C16H23NO2 — CID 115673284

IUPACN-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H23NO2/c1-13(18)9-12-17(2)15(19)16(10-6-11-16)14-7-4-3-5-8-14/h3-5,7-8,13,18H,6,9-12H2,1-2H3
InChIKeyYCZLTFRHBMWTSX-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.34
Rot. Bonds5

About N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide

N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide (PubChem CID 115673284) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
PubChem CID115673284
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H23NO2/c1-13(18)9-12-17(2)15(19)16(10-6-11-16)14-7-4-3-5-8-14/h3-5,7-8,13,18H,6,9-12H2,1-2H3
InChIKeyYCZLTFRHBMWTSX-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62335163
N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62878656
2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 55008067
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 119653882
N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 107206168
2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid
CID 60831036
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 110484027
N-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 63393888
N-ethyl-N,1-diphenylcyclobutane-1-carboxamide
CID 69093061
1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide
CID 111758296
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 134005949

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide (CID 115673284) is N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide is CC(O)CCN(C)C(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide?
The InChIKey is YCZLTFRHBMWTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(18)9-12-17(2)15(19)16(10-6-11-16)14-7-4-3-5-8-14/h3-5,7-8,13,18H,6,9-12H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide?
N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 115673284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).