3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide

C22H28N2O3 — CID 110424660

IUPAC3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccc(N(C)C)cc2)C2CC2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-24(2)18-10-8-17(9-11-18)23-22(25)14-19(15-5-6-15)16-7-12-20(26-3)21(13-16)27-4/h7-13,15,19H,5-6,14H2,1-4H3,(H,23,25)
InChIKeyVWJSIJQAPJIMGJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.29
Rot. Bonds8

About 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide

3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide (PubChem CID 110424660) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide
PubChem CID110424660
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccc(N(C)C)cc2)C2CC2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-24(2)18-10-8-17(9-11-18)23-22(25)14-19(15-5-6-15)16-7-12-20(26-3)21(13-16)27-4/h7-13,15,19H,5-6,14H2,1-4H3,(H,23,25)
InChIKeyVWJSIJQAPJIMGJ-UHFFFAOYSA-N
XLogP4.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide
CID 110423126
3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide
CID 110297407
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
N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide
CID 110297406
N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 110423890
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 110425232
methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate
CID 110357612
3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide
CID 110618626
4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide
CID 110424664
2-cyclopropyl-N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylpropanamide
CID 110607497

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide (CID 110424660) is 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide is COc1ccc(C(CC(=O)Nc2ccc(N(C)C)cc2)C2CC2)cc1OC.
What is the InChIKey of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is VWJSIJQAPJIMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-24(2)18-10-8-17(9-11-18)23-22(25)14-19(15-5-6-15)16-7-12-20(26-3)21(13-16)27-4/h7-13,15,19H,5-6,14H2,1-4H3,(H,23,25).
What are the key properties of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide?
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 110424660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).