2-cyclopropyl-N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylpropanamide

C21H31NO3 — CID 110607497

IUPAC2-cyclopropyl-N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylpropanamide
SMILESCOc1ccc(C(CCN(C)C(=O)C(C)C2CC2)C2CC2)cc1OC
InChIInChI=1S/C21H31NO3/c1-14(15-5-6-15)21(23)22(2)12-11-18(16-7-8-16)17-9-10-19(24-3)20(13-17)25-4/h9-10,13-16,18H,5-8,11-12H2,1-4H3
InChIKeyUDVTXMGQGXIHJJ-UHFFFAOYSA-N
MW345.48 g/mol
LogP4.09
Rot. Bonds9

About 2-cyclopropyl-N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylpropanamide

2-cyclopropyl-N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylpropanamide (PubChem CID 110607497) has the molecular formula C21H31NO3 and a molecular weight of 345.48 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylpropanamide
PubChem CID110607497
Molecular FormulaC21H31NO3
Molecular Weight345.48 g/mol
Exact Mass345.23
IUPAC Name2-cyclopropyl-N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylpropanamide
SMILESCOc1ccc(C(CCN(C)C(=O)C(C)C2CC2)C2CC2)cc1OC
InChIInChI=1S/C21H31NO3/c1-14(15-5-6-15)21(23)22(2)12-11-18(16-7-8-16)17-9-10-19(24-3)20(13-17)25-4/h9-10,13-16,18H,5-8,11-12H2,1-4H3
InChIKeyUDVTXMGQGXIHJJ-UHFFFAOYSA-N
XLogP4.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate
CID 110357612
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide
CID 110415573
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide
CID 110611785
3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide
CID 110423126
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide
CID 110424660
2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 116676120
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide
CID 110407527
3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid
CID 117469302
2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
CID 71776049
(2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
CID 175283324
2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol
CID 116825142
3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
CID 117410585

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylpropanamide?
The IUPAC name of 2-cyclopropyl-N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylpropanamide (CID 110607497) is 2-cyclopropyl-N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylpropanamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylpropanamide?
The canonical SMILES for 2-cyclopropyl-N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylpropanamide is COc1ccc(C(CCN(C)C(=O)C(C)C2CC2)C2CC2)cc1OC.
What is the InChIKey of 2-cyclopropyl-N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylpropanamide?
The InChIKey is UDVTXMGQGXIHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO3/c1-14(15-5-6-15)21(23)22(2)12-11-18(16-7-8-16)17-9-10-19(24-3)20(13-17)25-4/h9-10,13-16,18H,5-8,11-12H2,1-4H3.
What are the key properties of 2-cyclopropyl-N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylpropanamide?
2-cyclopropyl-N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylpropanamide has a molecular weight of 345.48 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylpropanamide is sourced from PubChem (CID 110607497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).