1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide

C21H32N2O4 — CID 55964151

IUPAC1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCCCOc1ccc(C(C)NC(=O)C2(NC(C)=O)CCCCC2)cc1OC
InChIInChI=1S/C21H32N2O4/c1-5-13-27-18-10-9-17(14-19(18)26-4)15(2)22-20(25)21(23-16(3)24)11-7-6-8-12-21/h9-10,14-15H,5-8,11-13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyGSGIYFYPZRHEPZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.50
Rot. Bonds8

About 1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide

1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 55964151) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID55964151
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCCCOc1ccc(C(C)NC(=O)C2(NC(C)=O)CCCCC2)cc1OC
InChIInChI=1S/C21H32N2O4/c1-5-13-27-18-10-9-17(14-19(18)26-4)15(2)22-20(25)21(23-16(3)24)11-7-6-8-12-21/h9-10,14-15H,5-8,11-13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyGSGIYFYPZRHEPZ-UHFFFAOYSA-N
XLogP3.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296520
1-cyano-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 60584411
trans-(1R,2R)-2-[[(1S)-1-(3-methoxy-4-propoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124857094
4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672678
1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide
CID 122571672
1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide
CID 95146297
1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide
CID 95231374
N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 18889979
(2S)-2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propanamide
CID 119296501
1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288209
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119722950

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide (CID 55964151) is 1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide is CCCOc1ccc(C(C)NC(=O)C2(NC(C)=O)CCCCC2)cc1OC.
What is the InChIKey of 1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is GSGIYFYPZRHEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-5-13-27-18-10-9-17(14-19(18)26-4)15(2)22-20(25)21(23-16(3)24)11-7-6-8-12-21/h9-10,14-15H,5-8,11-13H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide?
1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 55964151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).