3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide

C20H25N3O — CID 76542594

IUPAC3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide
SMILESCNC(CN1CCCC1)c1ccc(-c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C20H25N3O/c1-22-19(14-23-11-2-3-12-23)16-9-7-15(8-10-16)17-5-4-6-18(13-17)20(21)24/h4-10,13,19,22H,2-3,11-12,14H2,1H3,(H2,21,24)
InChIKeyFVPJRWKBHPSQDS-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.81
Rot. Bonds6

About 3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide

3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide (PubChem CID 76542594) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide
PubChem CID76542594
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide
SMILESCNC(CN1CCCC1)c1ccc(-c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C20H25N3O/c1-22-19(14-23-11-2-3-12-23)16-9-7-15(8-10-16)17-5-4-6-18(13-17)20(21)24/h4-10,13,19,22H,2-3,11-12,14H2,1H3,(H2,21,24)
InChIKeyFVPJRWKBHPSQDS-UHFFFAOYSA-N
XLogP2.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989
1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 142725857
3-(4-piperidin-1-ylphenyl)benzamide
CID 68760605
N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 20735110
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 142725802
(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
4-[2-[methyl-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 57425534
N-methyl-3-[4-[1-[methyl-[2-(2-oxoquinoxalin-1-yl)acetyl]amino]-2-pyrrolidin-1-ylethyl]phenyl]benzamide
CID 57489000
N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide
CID 168513530
tert-butyl-hydroxy-dimethylsilane;(1S)-N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine;sulfane
CID 161283631

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide?
The IUPAC name of 3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide (CID 76542594) is 3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide.
What is the SMILES notation for 3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide?
The canonical SMILES for 3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide is CNC(CN1CCCC1)c1ccc(-c2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide?
The InChIKey is FVPJRWKBHPSQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-22-19(14-23-11-2-3-12-23)16-9-7-15(8-10-16)17-5-4-6-18(13-17)20(21)24/h4-10,13,19,22H,2-3,11-12,14H2,1H3,(H2,21,24).
What are the key properties of 3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide?
3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide has a molecular weight of 323.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide is sourced from PubChem (CID 76542594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).