2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide

C23H30N2O3 — CID 110301018

IUPAC2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide
SMILESCOc1ccc(C(C(=O)Nc2ccc(N3CCCC3)cc2)C(C)C)cc1OC
InChIInChI=1S/C23H30N2O3/c1-16(2)22(17-7-12-20(27-3)21(15-17)28-4)23(26)24-18-8-10-19(11-9-18)25-13-5-6-14-25/h7-12,15-16,22H,5-6,13-14H2,1-4H3,(H,24,26)
InChIKeyYDOTVFLULKCOOX-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.68
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide

2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 110301018) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide
PubChem CID110301018
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide
SMILESCOc1ccc(C(C(=O)Nc2ccc(N3CCCC3)cc2)C(C)C)cc1OC
InChIInChI=1S/C23H30N2O3/c1-16(2)22(17-7-12-20(27-3)21(15-17)28-4)23(26)24-18-8-10-19(11-9-18)25-13-5-6-14-25/h7-12,15-16,22H,5-6,13-14H2,1-4H3,(H,24,26)
InChIKeyYDOTVFLULKCOOX-UHFFFAOYSA-N
XLogP4.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.68
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

(2S)-2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41236259
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758
N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110301025
2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009591
1-(3,4-dimethoxyphenyl)-3-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]thiourea
CID 100725274
(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081
(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550636
N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46630982
2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide
CID 110411045
3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 62727759
(2R)-2-amino-N-[4-(azepan-1-yl)phenyl]-3-methylbutanamide
CID 79011906
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 7261645

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide (CID 110301018) is 2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide is COc1ccc(C(C(=O)Nc2ccc(N3CCCC3)cc2)C(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is YDOTVFLULKCOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-16(2)22(17-7-12-20(27-3)21(15-17)28-4)23(26)24-18-8-10-19(11-9-18)25-13-5-6-14-25/h7-12,15-16,22H,5-6,13-14H2,1-4H3,(H,24,26).
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide?
2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 382.50 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 110301018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).