4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide

C19H22N2O4 — CID 34758807

IUPAC4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide
SMILESCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccncc2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-13(14-8-10-20-11-9-14)21-19(23)7-5-16(22)15-4-6-17(24-2)18(12-15)25-3/h4,6,8-13H,5,7H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyGVAAUMRHYCWEBT-CYBMUJFWSA-N
MW342.40 g/mol
LogP2.94
Rot. Bonds8

About 4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide

4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide (PubChem CID 34758807) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide
PubChem CID34758807
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide
SMILESCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccncc2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-13(14-8-10-20-11-9-14)21-19(23)7-5-16(22)15-4-6-17(24-2)18(12-15)25-3/h4,6,8-13H,5,7H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyGVAAUMRHYCWEBT-CYBMUJFWSA-N
XLogP2.94
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-pyridin-4-ylpropanamide
CID 47055582
N-[1-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108796278
5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 81405502
4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 34762946
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9477089
4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 25352738
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119852198
3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide
CID 87000643

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide (CID 34758807) is 4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide is COc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccncc2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
The InChIKey is GVAAUMRHYCWEBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(14-8-10-20-11-9-14)21-19(23)7-5-16(22)15-4-6-17(24-2)18(12-15)25-3/h4,6,8-13H,5,7H2,1-3H3,(H,21,23)/t13-/m1/s1.
What are the key properties of 4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide has a molecular weight of 342.40 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide is sourced from PubChem (CID 34758807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).