N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide

C17H24N2O4 — CID 91770296

IUPACN-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)N[C@H]2CN(C)C[C@@H]2OC)cc1
InChIInChI=1S/C17H24N2O4/c1-19-10-14(16(11-19)23-3)18-17(21)9-8-15(20)12-4-6-13(22-2)7-5-12/h4-7,14,16H,8-11H2,1-3H3,(H,18,21)/t14-,16-/m0/s1
InChIKeyBAPLJJRLGZDXQT-HOCLYGCPSA-N
MW320.39 g/mol
LogP1.10
Rot. Bonds7

About N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide

N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide (PubChem CID 91770296) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
PubChem CID91770296
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)N[C@H]2CN(C)C[C@@H]2OC)cc1
InChIInChI=1S/C17H24N2O4/c1-19-10-14(16(11-19)23-3)18-17(21)9-8-15(20)12-4-6-13(22-2)7-5-12/h4-7,14,16H,8-11H2,1-3H3,(H,18,21)/t14-,16-/m0/s1
InChIKeyBAPLJJRLGZDXQT-HOCLYGCPSA-N
XLogP1.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide with MolForge

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Related Compounds

4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 45175838
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119426454
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 103535688
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride
CID 119426453
N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide
CID 91794683
N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 119058442
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55913747
1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 24761516
2-cyclopropyl-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid
CID 120686703
2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 121200224
N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110609779

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide (CID 91770296) is N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)N[C@H]2CN(C)C[C@@H]2OC)cc1.
What is the InChIKey of N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The InChIKey is BAPLJJRLGZDXQT-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-19-10-14(16(11-19)23-3)18-17(21)9-8-15(20)12-4-6-13(22-2)7-5-12/h4-7,14,16H,8-11H2,1-3H3,(H,18,21)/t14-,16-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide?
N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide has a molecular weight of 320.39 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 91770296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).