3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide

C25H29NO3 — CID 54555142

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide
SMILESCOc1ccc(C(C#Cc2ccccc2)CC(=O)N(C)C)cc1OC1CCCC1
InChIInChI=1S/C25H29NO3/c1-26(2)25(27)18-21(14-13-19-9-5-4-6-10-19)20-15-16-23(28-3)24(17-20)29-22-11-7-8-12-22/h4-6,9-10,15-17,21-22H,7-8,11-12,18H2,1-3H3
InChIKeyZMQJLNKQIUCVLG-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.63
Rot. Bonds6

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide

3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide (PubChem CID 54555142) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide
PubChem CID54555142
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide
SMILESCOc1ccc(C(C#Cc2ccccc2)CC(=O)N(C)C)cc1OC1CCCC1
InChIInChI=1S/C25H29NO3/c1-26(2)25(27)18-21(14-13-19-9-5-4-6-10-19)20-15-16-23(28-3)24(17-20)29-22-11-7-8-12-22/h4-6,9-10,15-17,21-22H,7-8,11-12,18H2,1-3H3
InChIKeyZMQJLNKQIUCVLG-UHFFFAOYSA-N
XLogP4.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-3-oxobutanamide
CID 54216808
methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-dibenzo-p-dioxin-2-ylpent-4-ynoate
CID 19349943
5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole
CID 19349937
5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-3-methyl-1,2,4-thiadiazole
CID 54196783
methyl 5-(4-chloro-3-fluorophenyl)-3-(3-cyclopentyloxy-4-methoxyphenyl)pent-4-ynoate
CID 19349946
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-5-methyl-1,3-oxazole
CID 54104552
methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]pent-4-ynoate
CID 19349974
1-cyano-2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-3-(2-phenylethyl)guanidine
CID 54245505
3-[5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]tetrazol-1-yl]propanenitrile
CID 54381916
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid
CID 70066184
2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene
CID 57236952

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide (CID 54555142) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide is COc1ccc(C(C#Cc2ccccc2)CC(=O)N(C)C)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide?
The InChIKey is ZMQJLNKQIUCVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-26(2)25(27)18-21(14-13-19-9-5-4-6-10-19)20-15-16-23(28-3)24(17-20)29-22-11-7-8-12-22/h4-6,9-10,15-17,21-22H,7-8,11-12,18H2,1-3H3.
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide?
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide has a molecular weight of 391.51 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide is sourced from PubChem (CID 54555142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).