N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide

C15H21NO2 — CID 134057156

IUPACN-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide
SMILESCOCC(C)NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H21NO2/c1-12(11-18-2)16-14(17)15(9-6-10-15)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,16,17)
InChIKeyILRKIBCJLWJEGE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide

N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide (PubChem CID 134057156) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide
PubChem CID134057156
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide
SMILESCOCC(C)NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H21NO2/c1-12(11-18-2)16-14(17)15(9-6-10-15)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,16,17)
InChIKeyILRKIBCJLWJEGE-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)cyclopentane-1-carboxamide
CID 46642602
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 100615641
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 120505049
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide
CID 52843334
(2S)-3-methyl-2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 61173965
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 79245883
N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540
N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide
CID 115661895
2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 43630836
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide (CID 134057156) is N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide is COCC(C)NC(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide?
The InChIKey is ILRKIBCJLWJEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(11-18-2)16-14(17)15(9-6-10-15)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,16,17).
What are the key properties of N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide?
N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 134057156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).