3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

C24H32N4O3 — CID 56512786

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C24H32N4O3/c1-27(18-20-6-3-2-4-7-20)24(30)25-11-10-23(29)26-17-21-8-5-9-22(16-21)19-28-12-14-31-15-13-28/h2-9,16H,10-15,17-19H2,1H3,(H,25,30)(H,26,29)
InChIKeyFNIAWAFNNOFVGG-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.37
Rot. Bonds9

About 3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (PubChem CID 56512786) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
PubChem CID56512786
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C24H32N4O3/c1-27(18-20-6-3-2-4-7-20)24(30)25-11-10-23(29)26-17-21-8-5-9-22(16-21)19-28-12-14-31-15-13-28/h2-9,16H,10-15,17-19H2,1H3,(H,25,30)(H,26,29)
InChIKeyFNIAWAFNNOFVGG-UHFFFAOYSA-N
XLogP2.37
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55814806
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxobutanamide
CID 56562872
3-[[benzyl(methyl)carbamoyl]amino]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 56515868
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55924789
1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30312063
1-[(3,4-dichlorophenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30311979
3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119847390
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 56515754
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355
3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 56553427
4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 94134123

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (CID 56512786) is 3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is CN(Cc1ccccc1)C(=O)NCCC(=O)NCc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is FNIAWAFNNOFVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-27(18-20-6-3-2-4-7-20)24(30)25-11-10-23(29)26-17-21-8-5-9-22(16-21)19-28-12-14-31-15-13-28/h2-9,16H,10-15,17-19H2,1H3,(H,25,30)(H,26,29).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 424.55 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 56512786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).