N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide

C22H27NO2 — CID 100658573

IUPACN-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1OC(C)C
InChIInChI=1S/C22H27NO2/c1-16(2)25-20-12-11-19(15-17(20)3)23-21(24)22(13-7-8-14-22)18-9-5-4-6-10-18/h4-6,9-12,15-16H,7-8,13-14H2,1-3H3,(H,23,24)
InChIKeyJIKMPMNHZVELIS-UHFFFAOYSA-N
MW337.46 g/mol
LogP5.23
Rot. Bonds5

About N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide

N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 100658573) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
PubChem CID100658573
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC NameN-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1OC(C)C
InChIInChI=1S/C22H27NO2/c1-16(2)25-20-12-11-19(15-17(20)3)23-21(24)22(13-7-8-14-22)18-9-5-4-6-10-18/h4-6,9-12,15-16H,7-8,13-14H2,1-3H3,(H,23,24)
InChIKeyJIKMPMNHZVELIS-UHFFFAOYSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 100672535
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658755
N-(3-methyl-4-propoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658553
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-4-phenyloxane-4-carboxamide
CID 100679396
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664966
1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid
CID 117373867
N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 133187939
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 119420158
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672586
methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 133246498
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100671854

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide (CID 100658573) is N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide is Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1OC(C)C.
What is the InChIKey of N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is JIKMPMNHZVELIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-16(2)25-20-12-11-19(15-17(20)3)23-21(24)22(13-7-8-14-22)18-9-5-4-6-10-18/h4-6,9-12,15-16H,7-8,13-14H2,1-3H3,(H,23,24).
What are the key properties of N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide?
N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 100658573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).