3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide

C24H27NO3 — CID 56987832

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide
SMILESCOc1ccc(C(C)(C#Cc2ccccc2)CC(N)=O)cc1OC1CCCC1
InChIInChI=1S/C24H27NO3/c1-24(17-23(25)26,15-14-18-8-4-3-5-9-18)19-12-13-21(27-2)22(16-19)28-20-10-6-7-11-20/h3-5,8-9,12-13,16,20H,6-7,10-11,17H2,1-2H3,(H2,25,26)
InChIKeyKSHVGRMBUBIJNX-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.20
Rot. Bonds6

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide

3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide (PubChem CID 56987832) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide
PubChem CID56987832
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide
SMILESCOc1ccc(C(C)(C#Cc2ccccc2)CC(N)=O)cc1OC1CCCC1
InChIInChI=1S/C24H27NO3/c1-24(17-23(25)26,15-14-18-8-4-3-5-9-18)19-12-13-21(27-2)22(16-19)28-20-10-6-7-11-20/h3-5,8-9,12-13,16,20H,6-7,10-11,17H2,1-2H3,(H2,25,26)
InChIKeyKSHVGRMBUBIJNX-UHFFFAOYSA-N
XLogP4.20
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid
CID 70066184
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methoxy-5-phenylpent-4-ynamide
CID 57235125
2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene
CID 57298170
3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid
CID 117446285
3-(4-cyclopentyloxy-3-methoxyphenyl)-3-methylbutanoic acid
CID 117472193
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide
CID 54555142
N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-3-oxobutanamide
CID 54216808
tert-butyl N-[3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-phenylethynyl)cyclobutyl]carbamate
CID 20638963
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole
CID 19349937
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-phenylethynyl)cyclohexan-1-one
CID 15392008

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide (CID 56987832) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide is COc1ccc(C(C)(C#Cc2ccccc2)CC(N)=O)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide?
The InChIKey is KSHVGRMBUBIJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-24(17-23(25)26,15-14-18-8-4-3-5-9-18)19-12-13-21(27-2)22(16-19)28-20-10-6-7-11-20/h3-5,8-9,12-13,16,20H,6-7,10-11,17H2,1-2H3,(H2,25,26).
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide?
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide has a molecular weight of 377.48 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide is sourced from PubChem (CID 56987832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).