N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide

C17H25NO2 — CID 133245841

IUPACN-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCCC(C)Oc1ccc(NC(=O)C2(C)CCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-4-13(2)20-15-9-7-14(8-10-15)18-16(19)17(3)11-5-6-12-17/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyXWFKYFCODTZSKN-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.38
Rot. Bonds5

About N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide

N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 133245841) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide
PubChem CID133245841
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCCC(C)Oc1ccc(NC(=O)C2(C)CCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-4-13(2)20-15-9-7-14(8-10-15)18-16(19)17(3)11-5-6-12-17/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyXWFKYFCODTZSKN-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119298195
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide
CID 100729496
1-methyl-N-[4-(2-methylpropoxy)phenyl]cyclopentane-1-carboxamide
CID 100691652
N-(4-butan-2-yloxyphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 133179608
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624362
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100707870
3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119944238
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100734054
N-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100734045
N-(4-butan-2-yloxyphenyl)-4-phenyloxane-4-carboxamide
CID 133187943
N-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide
CID 94646439

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide (CID 133245841) is N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide is CCC(C)Oc1ccc(NC(=O)C2(C)CCCC2)cc1.
What is the InChIKey of N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is XWFKYFCODTZSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-13(2)20-15-9-7-14(8-10-15)18-16(19)17(3)11-5-6-12-17/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19).
What are the key properties of N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide?
N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 133245841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).