3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide

C20H27NO2 — CID 86950147

IUPAC3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide
SMILESC#CCOc1ccc(CCNC(=O)C(C)CC2CCCC2)cc1
InChIInChI=1S/C20H27NO2/c1-3-14-23-19-10-8-17(9-11-19)12-13-21-20(22)16(2)15-18-6-4-5-7-18/h1,8-11,16,18H,4-7,12-15H2,2H3,(H,21,22)
InChIKeyZOLNFEDLRATUQF-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.57
Rot. Bonds8

About 3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide

3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide (PubChem CID 86950147) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide
PubChem CID86950147
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide
SMILESC#CCOc1ccc(CCNC(=O)C(C)CC2CCCC2)cc1
InChIInChI=1S/C20H27NO2/c1-3-14-23-19-10-8-17(9-11-19)12-13-21-20(22)16(2)15-18-6-4-5-7-18/h1,8-11,16,18H,4-7,12-15H2,2H3,(H,21,22)
InChIKeyZOLNFEDLRATUQF-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[(3-cyclopentyl-2-methylpropanoyl)amino]ethyl]phenoxy]acetic acid
CID 119255457
(2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 94814042
4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid
CID 119247037
N-[2-(4-prop-2-ynoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51101426
(3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide
CID 95286558
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
CID 56787666
4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 86874580
1-(2-methoxy-4-methylphenyl)-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
CID 86875415
2-methyl-1-(2-phenylethyl)-3-[2-(4-prop-2-ynoxyphenyl)ethyl]guanidine
CID 111134841
2-methyl-1-propyl-3-[2-(4-prop-2-ynoxyphenyl)ethyl]guanidine
CID 111228051
1-[1-(2,4-difluorophenyl)ethyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
CID 86875310
N-[2-[4-(3-cyclopropylprop-2-ynoxy)phenyl]ethyl]-2-(methanesulfonamido)-3-methylbutanamide
CID 22561355

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide (CID 86950147) is 3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide is C#CCOc1ccc(CCNC(=O)C(C)CC2CCCC2)cc1.
What is the InChIKey of 3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide?
The InChIKey is ZOLNFEDLRATUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-3-14-23-19-10-8-17(9-11-19)12-13-21-20(22)16(2)15-18-6-4-5-7-18/h1,8-11,16,18H,4-7,12-15H2,2H3,(H,21,22).
What are the key properties of 3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide?
3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide has a molecular weight of 313.44 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 86950147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).