3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide

C22H27NO5 — CID 110423126

IUPAC3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC(c2ccc(OC)c(OC)c2)C2CC2)cc1OC
InChIInChI=1S/C22H27NO5/c1-25-18-9-7-15(11-20(18)27-3)17(14-5-6-14)13-22(24)23-16-8-10-19(26-2)21(12-16)28-4/h7-12,14,17H,5-6,13H2,1-4H3,(H,23,24)
InChIKeyMKGXAKWQHSSHMD-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.24
Rot. Bonds9

About 3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide

3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide (PubChem CID 110423126) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide
PubChem CID110423126
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC(c2ccc(OC)c(OC)c2)C2CC2)cc1OC
InChIInChI=1S/C22H27NO5/c1-25-18-9-7-15(11-20(18)27-3)17(14-5-6-14)13-22(24)23-16-8-10-19(26-2)21(12-16)28-4/h7-12,14,17H,5-6,13H2,1-4H3,(H,23,24)
InChIKeyMKGXAKWQHSSHMD-UHFFFAOYSA-N
XLogP4.24
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide
CID 110424660
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide
CID 110611785
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide
CID 110407527
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide
CID 110415573
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 110425232
N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide
CID 110297406
N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 110423890
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide
CID 110297407
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
2-cyclopropyl-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 110356066
methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate
CID 110357612

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide (CID 110423126) is 3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CC(c2ccc(OC)c(OC)c2)C2CC2)cc1OC.
What is the InChIKey of 3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide?
The InChIKey is MKGXAKWQHSSHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-25-18-9-7-15(11-20(18)27-3)17(14-5-6-14)13-22(24)23-16-8-10-19(26-2)21(12-16)28-4/h7-12,14,17H,5-6,13H2,1-4H3,(H,23,24).
What are the key properties of 3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide?
3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide has a molecular weight of 385.46 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 110423126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).