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

C21H26N4O3 — CID 78815862

IUPAC3-(carbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(NC(N)=O)c2)N2CCCC2)cc1
InChIInChI=1S/C21H26N4O3/c1-28-18-9-7-15(8-10-18)19(25-11-2-3-12-25)14-23-20(26)16-5-4-6-17(13-16)24-21(22)27/h4-10,13,19H,2-3,11-12,14H2,1H3,(H,23,26)(H3,22,24,27)
InChIKeyGFQFMSDCDZYJIA-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.75
Rot. Bonds7

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

3-(carbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 78815862) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID78815862
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name3-(carbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(NC(N)=O)c2)N2CCCC2)cc1
InChIInChI=1S/C21H26N4O3/c1-28-18-9-7-15(8-10-18)19(25-11-2-3-12-25)14-23-20(26)16-5-4-6-17(13-16)24-21(22)27/h4-10,13,19H,2-3,11-12,14H2,1H3,(H,23,26)(H3,22,24,27)
InChIKeyGFQFMSDCDZYJIA-UHFFFAOYSA-N
XLogP2.75
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55648199
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46429981
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454
3-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 2997566
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrol-1-ylbenzamide
CID 25340437
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
3-[(4-fluorophenyl)sulfamoyl]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 27771815
3-(azepan-1-ylsulfonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 25350857
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 78784235

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3-(carbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 78815862) is 3-(carbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is COc1ccc(C(CNC(=O)c2cccc(NC(N)=O)c2)N2CCCC2)cc1.
What is the InChIKey of 3-(carbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is GFQFMSDCDZYJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-28-18-9-7-15(8-10-18)19(25-11-2-3-12-25)14-23-20(26)16-5-4-6-17(13-16)24-21(22)27/h4-10,13,19H,2-3,11-12,14H2,1H3,(H,23,26)(H3,22,24,27).
What are the key properties of 3-(carbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
3-(carbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 78815862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).