3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide

C24H31ClN4O3 — CID 56515754

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C24H31ClN4O3/c1-28(18-19-7-3-2-4-8-19)24(31)26-12-11-23(30)27-17-22(29-13-15-32-16-14-29)20-9-5-6-10-21(20)25/h2-10,22H,11-18H2,1H3,(H,26,31)(H,27,30)
InChIKeyUCLUSIKPVFEIIP-UHFFFAOYSA-N
MW458.99 g/mol
LogP3.06
Rot. Bonds9

About 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 56515754) has the molecular formula C24H31ClN4O3 and a molecular weight of 458.99 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
PubChem CID56515754
Molecular FormulaC24H31ClN4O3
Molecular Weight458.99 g/mol
Exact Mass458.21
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C24H31ClN4O3/c1-28(18-19-7-3-2-4-8-19)24(31)26-12-11-23(30)27-17-22(29-13-15-32-16-14-29)20-9-5-6-10-21(20)25/h2-10,22H,11-18H2,1H3,(H,26,31)(H,27,30)
InChIKeyUCLUSIKPVFEIIP-UHFFFAOYSA-N
XLogP3.06
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.99
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 56514738
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 35041740
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide
CID 39590991
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)propanamide
CID 51937855
1-benzyl-3-[3-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-oxopropyl]-1-methylurea
CID 56505549
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-phenylpropanamide
CID 120595396
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 56512786
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 17012218

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide (CID 56515754) is 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide is CN(Cc1ccccc1)C(=O)NCCC(=O)NCC(c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is UCLUSIKPVFEIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O3/c1-28(18-19-7-3-2-4-8-19)24(31)26-12-11-23(30)27-17-22(29-13-15-32-16-14-29)20-9-5-6-10-21(20)25/h2-10,22H,11-18H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 458.99 g/mol, XLogP of 3.06, 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-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 56515754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).