3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide

C20H29N3O3 — CID 50982203

IUPAC3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
SMILESCOCCN1CCC(CNC(=O)c2ccc(C)c(NC(=O)C3CC3)c2)C1
InChIInChI=1S/C20H29N3O3/c1-14-3-4-17(11-18(14)22-20(25)16-5-6-16)19(24)21-12-15-7-8-23(13-15)9-10-26-2/h3-4,11,15-16H,5-10,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHWOJJRJLWRVUOQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.04
Rot. Bonds8

About 3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide

3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide (PubChem CID 50982203) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
PubChem CID50982203
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
SMILESCOCCN1CCC(CNC(=O)c2ccc(C)c(NC(=O)C3CC3)c2)C1
InChIInChI=1S/C20H29N3O3/c1-14-3-4-17(11-18(14)22-20(25)16-5-6-16)19(24)21-12-15-7-8-23(13-15)9-10-26-2/h3-4,11,15-16H,5-10,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHWOJJRJLWRVUOQ-UHFFFAOYSA-N
XLogP2.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-nitrobenzamide
CID 95293738
3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 126442048
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-methyl-4-nitrobenzamide
CID 16895526
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 71880041
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide
CID 125176783
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(1-methylimidazol-2-yl)benzamide
CID 126448828
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895556
4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 125445471
N-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide
CID 172665416
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63212001

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide (CID 50982203) is 3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide is COCCN1CCC(CNC(=O)c2ccc(C)c(NC(=O)C3CC3)c2)C1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide?
The InChIKey is HWOJJRJLWRVUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-3-4-17(11-18(14)22-20(25)16-5-6-16)19(24)21-12-15-7-8-23(13-15)9-10-26-2/h3-4,11,15-16H,5-10,12-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide?
3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide has a molecular weight of 359.47 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 50982203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).