3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide

C21H26N2O2 — CID 110618601

IUPAC3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCOc1ccc(C(C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(17-8-10-20(25-2)11-9-17)14-21(24)22-18-6-5-7-19(15-18)23-12-3-4-13-23/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,22,24)
InChIKeyZVOIOVUHNWOPIS-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.43
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide

3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 110618601) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide
PubChem CID110618601
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCOc1ccc(C(C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(17-8-10-20(25-2)11-9-17)14-21(24)22-18-6-5-7-19(15-18)23-12-3-4-13-23/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,22,24)
InChIKeyZVOIOVUHNWOPIS-UHFFFAOYSA-N
XLogP4.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107334
3-(3-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 110361627
3-acetamido-3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 55876842
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119872902
3-[(5-methylthiophen-2-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107315
6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid
CID 122054475
3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 133416740
4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 60928577
3-[(2-amino-2-methylpropanoyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide;dihydrochloride
CID 119872888

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide (CID 110618601) is 3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide is COc1ccc(C(C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is ZVOIOVUHNWOPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(17-8-10-20(25-2)11-9-17)14-21(24)22-18-6-5-7-19(15-18)23-12-3-4-13-23/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,22,24).
What are the key properties of 3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide?
3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 338.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 110618601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).