2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide

C20H31NO3 — CID 54786541

IUPAC2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
SMILESCOc1cc(CNC(=O)CC2CCCC2)ccc1OCCC(C)C
InChIInChI=1S/C20H31NO3/c1-15(2)10-11-24-18-9-8-17(12-19(18)23-3)14-21-20(22)13-16-6-4-5-7-16/h8-9,12,15-16H,4-7,10-11,13-14H2,1-3H3,(H,21,22)
InChIKeyKHNUFGWFYUXLBE-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.32
Rot. Bonds9

About 2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide

2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide (PubChem CID 54786541) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
PubChem CID54786541
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
SMILESCOc1cc(CNC(=O)CC2CCCC2)ccc1OCCC(C)C
InChIInChI=1S/C20H31NO3/c1-15(2)10-11-24-18-9-8-17(12-19(18)23-3)14-21-20(22)13-16-6-4-5-7-16/h8-9,12,15-16H,4-7,10-11,13-14H2,1-3H3,(H,21,22)
InChIKeyKHNUFGWFYUXLBE-UHFFFAOYSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
CID 54776536
2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide
CID 54786678
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide
CID 60972004
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide
CID 54776657
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 55713345
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 60616453
3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 4794325
N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
CID 55713571
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide
CID 55031718
3,4,5-trimethoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylcarbamothioyl]benzamide
CID 54776880
3-(1,3-dioxoisoindol-2-yl)-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]propanamide
CID 55725283
3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide
CID 55930556

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide (CID 54786541) is 2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide is COc1cc(CNC(=O)CC2CCCC2)ccc1OCCC(C)C.
What is the InChIKey of 2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide?
The InChIKey is KHNUFGWFYUXLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-15(2)10-11-24-18-9-8-17(12-19(18)23-3)14-21-20(22)13-16-6-4-5-7-16/h8-9,12,15-16H,4-7,10-11,13-14H2,1-3H3,(H,21,22).
What are the key properties of 2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide?
2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide has a molecular weight of 333.47 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 54786541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).