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

C19H29NO3 — CID 110415573

IUPAC3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCC(C)C)C2CC2)cc1OC
InChIInChI=1S/C19H29NO3/c1-13(2)9-10-20-19(21)12-16(14-5-6-14)15-7-8-17(22-3)18(11-15)23-4/h7-8,11,13-14,16H,5-6,9-10,12H2,1-4H3,(H,20,21)
InChIKeyGLSTXGRQUGREKV-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.75
Rot. Bonds9

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

3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide (PubChem CID 110415573) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide
PubChem CID110415573
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCC(C)C)C2CC2)cc1OC
InChIInChI=1S/C19H29NO3/c1-13(2)9-10-20-19(21)12-16(14-5-6-14)15-7-8-17(22-3)18(11-15)23-4/h7-8,11,13-14,16H,5-6,9-10,12H2,1-4H3,(H,20,21)
InChIKeyGLSTXGRQUGREKV-UHFFFAOYSA-N
XLogP3.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide
CID 110407527
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 110425232
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-(3-pyridin-3-ylpropyl)propanamide
CID 110408995
3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 110297293
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide
CID 110424660
3-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 110306820
3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 110301496
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide
CID 110310845
methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate
CID 110357612
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide
CID 61486644

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide (CID 110415573) is 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide is COc1ccc(C(CC(=O)NCCC(C)C)C2CC2)cc1OC.
What is the InChIKey of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide?
The InChIKey is GLSTXGRQUGREKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-13(2)9-10-20-19(21)12-16(14-5-6-14)15-7-8-17(22-3)18(11-15)23-4/h7-8,11,13-14,16H,5-6,9-10,12H2,1-4H3,(H,20,21).
What are the key properties of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide?
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide has a molecular weight of 319.45 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 110415573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).