2-(3-chlorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]cyclopropane-1-carboxamide

C22H26ClNO4 — CID 49161267

IUPAC2-(3-chlorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]cyclopropane-1-carboxamide
SMILESCOCCOc1ccc(C(C)NC(=O)C2CC2c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C22H26ClNO4/c1-14(15-7-8-20(21(12-15)27-3)28-10-9-26-2)24-22(25)19-13-18(19)16-5-4-6-17(23)11-16/h4-8,11-12,14,18-19H,9-10,13H2,1-3H3,(H,24,25)
InChIKeyCDLCTNNRQDEDIZ-UHFFFAOYSA-N
MW403.91 g/mol
LogP4.35
Rot. Bonds9

About 2-(3-chlorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]cyclopropane-1-carboxamide

2-(3-chlorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]cyclopropane-1-carboxamide (PubChem CID 49161267) has the molecular formula C22H26ClNO4 and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]cyclopropane-1-carboxamide
PubChem CID49161267
Molecular FormulaC22H26ClNO4
Molecular Weight403.91 g/mol
Exact Mass403.16
IUPAC Name2-(3-chlorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]cyclopropane-1-carboxamide
SMILESCOCCOc1ccc(C(C)NC(=O)C2CC2c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C22H26ClNO4/c1-14(15-7-8-20(21(12-15)27-3)28-10-9-26-2)24-22(25)19-13-18(19)16-5-4-6-17(23)11-16/h4-8,11-12,14,18-19H,9-10,13H2,1-3H3,(H,24,25)
InChIKeyCDLCTNNRQDEDIZ-UHFFFAOYSA-N
XLogP4.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-[[(1S)-1-(3-methoxy-4-propoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124857094
2-[1-(3-methoxy-4-pentoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974995
2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 78890426
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47063290
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119289128
2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351
3-amino-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]butanamide
CID 119722964
2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 55869434
2-(3-chlorophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 49157849
2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188628
5-bromo-2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 55748470
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]cyclopropane-1-carboxamide (CID 49161267) is 2-(3-chlorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]cyclopropane-1-carboxamide is COCCOc1ccc(C(C)NC(=O)C2CC2c2cccc(Cl)c2)cc1OC.
What is the InChIKey of 2-(3-chlorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is CDLCTNNRQDEDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO4/c1-14(15-7-8-20(21(12-15)27-3)28-10-9-26-2)24-22(25)19-13-18(19)16-5-4-6-17(23)11-16/h4-8,11-12,14,18-19H,9-10,13H2,1-3H3,(H,24,25).
What are the key properties of 2-(3-chlorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]cyclopropane-1-carboxamide?
2-(3-chlorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 49161267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).