N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide

C19H29N3O3 — CID 136529358

IUPACN-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESCOc1cccc(NC(=O)CCN2CCC(CN3CCOCC3)C2)c1
InChIInChI=1S/C19H29N3O3/c1-24-18-4-2-3-17(13-18)20-19(23)6-8-21-7-5-16(14-21)15-22-9-11-25-12-10-22/h2-4,13,16H,5-12,14-15H2,1H3,(H,20,23)
InChIKeyCTZBGRBTAYVAEV-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.68
Rot. Bonds7

About N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide

N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide (PubChem CID 136529358) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide
PubChem CID136529358
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESCOc1cccc(NC(=O)CCN2CCC(CN3CCOCC3)C2)c1
InChIInChI=1S/C19H29N3O3/c1-24-18-4-2-3-17(13-18)20-19(23)6-8-21-7-5-16(14-21)15-22-9-11-25-12-10-22/h2-4,13,16H,5-12,14-15H2,1H3,(H,20,23)
InChIKeyCTZBGRBTAYVAEV-UHFFFAOYSA-N
XLogP1.68
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921880
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398
3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 56526295
3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 26405274
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
1-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea
CID 162847650
1-[(3S,4R,5S)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]-3-(3-methoxyphenyl)urea
CID 125417379
N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
CID 124730854
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 55864033
2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55888231
3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 29022201

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide (CID 136529358) is N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide is COc1cccc(NC(=O)CCN2CCC(CN3CCOCC3)C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is CTZBGRBTAYVAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-24-18-4-2-3-17(13-18)20-19(23)6-8-21-7-5-16(14-21)15-22-9-11-25-12-10-22/h2-4,13,16H,5-12,14-15H2,1H3,(H,20,23).
What are the key properties of N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide?
N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 136529358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).