2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide

C20H30N2O4 — CID 55635162

IUPAC2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)C(NC(C)=O)C2CCCC2)cc1OC
InChIInChI=1S/C20H30N2O4/c1-4-11-26-17-10-9-15(12-18(17)25-3)13-21-20(24)19(22-14(2)23)16-7-5-6-8-16/h9-10,12,16,19H,4-8,11,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyFJBPEBRMJNLWTH-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.80
Rot. Bonds9

About 2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide

2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide (PubChem CID 55635162) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
PubChem CID55635162
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)C(NC(C)=O)C2CCCC2)cc1OC
InChIInChI=1S/C20H30N2O4/c1-4-11-26-17-10-9-15(12-18(17)25-3)13-21-20(24)19(22-14(2)23)16-7-5-6-8-16/h9-10,12,16,19H,4-8,11,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyFJBPEBRMJNLWTH-UHFFFAOYSA-N
XLogP2.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786627
1-[(4-butoxy-3-methoxyphenyl)methyl]-3-cyclohexylurea
CID 46762304
2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide
CID 54786678
N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide
CID 82364748
N-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94456240
2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107769128
9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985722
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 51123302
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide
CID 54776981
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide?
The IUPAC name of 2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide (CID 55635162) is 2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide is CCCOc1ccc(CNC(=O)C(NC(C)=O)C2CCCC2)cc1OC.
What is the InChIKey of 2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide?
The InChIKey is FJBPEBRMJNLWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-4-11-26-17-10-9-15(12-18(17)25-3)13-21-20(24)19(22-14(2)23)16-7-5-6-8-16/h9-10,12,16,19H,4-8,11,13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide?
2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide has a molecular weight of 362.47 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide is sourced from PubChem (CID 55635162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).