2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide

C19H25NO3 — CID 90575527

IUPAC2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
SMILESCOc1ccccc1OCC#CCNC(=O)CC1CCCCC1
InChIInChI=1S/C19H25NO3/c1-22-17-11-5-6-12-18(17)23-14-8-7-13-20-19(21)15-16-9-3-2-4-10-16/h5-6,11-12,16H,2-4,9-10,13-15H2,1H3,(H,20,21)
InChIKeyBXAJJNVACKMSAW-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.16
Rot. Bonds6

About 2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide

2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide (PubChem CID 90575527) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
PubChem CID90575527
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
SMILESCOc1ccccc1OCC#CCNC(=O)CC1CCCCC1
InChIInChI=1S/C19H25NO3/c1-22-17-11-5-6-12-18(17)23-14-8-7-13-20-19(21)15-16-9-3-2-4-10-16/h5-6,11-12,16H,2-4,9-10,13-15H2,1H3,(H,20,21)
InChIKeyBXAJJNVACKMSAW-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.16
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

N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3,3-dimethylbutanamide
CID 90575523
N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide
CID 90575522
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide
CID 71802876
2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 46590599
2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 90575591
2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 71802909
2-cyclohexyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144509
N-[4-(2-methoxyphenoxy)but-2-ynyl]but-2-enamide
CID 91939404
2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide
CID 52539243
1-cyclohexyl-3-[4-(2-methylphenoxy)but-2-ynyl]urea
CID 90575360

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide (CID 90575527) is 2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide is COc1ccccc1OCC#CCNC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide?
The InChIKey is BXAJJNVACKMSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-22-17-11-5-6-12-18(17)23-14-8-7-13-20-19(21)15-16-9-3-2-4-10-16/h5-6,11-12,16H,2-4,9-10,13-15H2,1H3,(H,20,21).
What are the key properties of 2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide?
2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide has a molecular weight of 315.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide is sourced from PubChem (CID 90575527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).