4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

C22H29N3O2 — CID 43005778

IUPAC4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(N(C)C)cc2)N2CCCC2)c1
InChIInChI=1S/C22H29N3O2/c1-24(2)19-11-9-17(10-12-19)22(26)23-16-21(25-13-4-5-14-25)18-7-6-8-20(15-18)27-3/h6-12,15,21H,4-5,13-14,16H2,1-3H3,(H,23,26)
InChIKeyALMQODAECSDBPL-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.33
Rot. Bonds7

About 4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 43005778) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID43005778
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(N(C)C)cc2)N2CCCC2)c1
InChIInChI=1S/C22H29N3O2/c1-24(2)19-11-9-17(10-12-19)22(26)23-16-21(25-13-4-5-14-25)18-7-6-8-20(15-18)27-3/h6-12,15,21H,4-5,13-14,16H2,1-3H3,(H,23,26)
InChIKeyALMQODAECSDBPL-UHFFFAOYSA-N
XLogP3.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4827588
4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005704
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
3-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 2997566
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 78803328
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate
CID 46446884
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
tert-butyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate
CID 17484140

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 43005778) is 4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is COc1cccc(C(CNC(=O)c2ccc(N(C)C)cc2)N2CCCC2)c1.
What is the InChIKey of 4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is ALMQODAECSDBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-24(2)19-11-9-17(10-12-19)22(26)23-16-21(25-13-4-5-14-25)18-7-6-8-20(15-18)27-3/h6-12,15,21H,4-5,13-14,16H2,1-3H3,(H,23,26).
What are the key properties of 4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 43005778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).