3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

C23H31N3O3 — CID 119107334

IUPAC3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCOc1cc(CNC(C)CC(=O)Nc2cccc(N3CCCC3)c2)cc(OC)c1
InChIInChI=1S/C23H31N3O3/c1-17(24-16-18-12-21(28-2)15-22(13-18)29-3)11-23(27)25-19-7-6-8-20(14-19)26-9-4-5-10-26/h6-8,12-15,17,24H,4-5,9-11,16H2,1-3H3,(H,25,27)
InChIKeyYTXCFTSETUAJNS-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.81
Rot. Bonds9

About 3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 119107334) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
PubChem CID119107334
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCOc1cc(CNC(C)CC(=O)Nc2cccc(N3CCCC3)c2)cc(OC)c1
InChIInChI=1S/C23H31N3O3/c1-17(24-16-18-12-21(28-2)15-22(13-18)29-3)11-23(27)25-19-7-6-8-20(14-19)26-9-4-5-10-26/h6-8,12-15,17,24H,4-5,9-11,16H2,1-3H3,(H,25,27)
InChIKeyYTXCFTSETUAJNS-UHFFFAOYSA-N
XLogP3.81
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107312
3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107329
3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 110618601
3-[(5-methylthiophen-2-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107315
3-(3-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 110361627
3-[(2-amino-2-methylpropanoyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide;dihydrochloride
CID 119872888
4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide
CID 119872921
4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 60928577
6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid
CID 122054475
1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119872902
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]benzamide
CID 51133364
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of 3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide (CID 119107334) is 3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for 3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for 3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide is COc1cc(CNC(C)CC(=O)Nc2cccc(N3CCCC3)c2)cc(OC)c1.
What is the InChIKey of 3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is YTXCFTSETUAJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-17(24-16-18-12-21(28-2)15-22(13-18)29-3)11-23(27)25-19-7-6-8-20(14-19)26-9-4-5-10-26/h6-8,12-15,17,24H,4-5,9-11,16H2,1-3H3,(H,25,27).
What are the key properties of 3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide?
3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 397.52 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 119107334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).