N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide

C23H29NO2 — CID 100658755

IUPACN-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccccc3)CCCC2)cc(C)c1OC(C)C
InChIInChI=1S/C23H29NO2/c1-16(2)26-21-17(3)14-20(15-18(21)4)24-22(25)23(12-8-9-13-23)19-10-6-5-7-11-19/h5-7,10-11,14-16H,8-9,12-13H2,1-4H3,(H,24,25)
InChIKeyBEAJFBWNPOKBQQ-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.54
Rot. Bonds5

About N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide

N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 100658755) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
PubChem CID100658755
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccccc3)CCCC2)cc(C)c1OC(C)C
InChIInChI=1S/C23H29NO2/c1-16(2)26-21-17(3)14-20(15-18(21)4)24-22(25)23(12-8-9-13-23)19-10-6-5-7-11-19/h5-7,10-11,14-16H,8-9,12-13H2,1-4H3,(H,24,25)
InChIKeyBEAJFBWNPOKBQQ-UHFFFAOYSA-N
XLogP5.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100671854
N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658573
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100663768
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669967
N-(4-butoxy-3,5-dimethylphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669904
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 133188311
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674689
N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674701
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide
CID 100662222
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide
CID 100705167
1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 100672535
N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100661111

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide (CID 100658755) is N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide is Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)cc(C)c1OC(C)C.
What is the InChIKey of N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is BEAJFBWNPOKBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-16(2)26-21-17(3)14-20(15-18(21)4)24-22(25)23(12-8-9-13-23)19-10-6-5-7-11-19/h5-7,10-11,14-16H,8-9,12-13H2,1-4H3,(H,24,25).
What are the key properties of N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide?
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 100658755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).