2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide

C25H32ClN3O3 — CID 133214559

IUPAC2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
SMILESCCC(=O)N(Cc1ccc(Cl)cc1)C(Cc1ccccc1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C25H32ClN3O3/c1-2-24(30)29(19-21-8-10-22(26)11-9-21)23(18-20-6-4-3-5-7-20)25(31)27-12-13-28-14-16-32-17-15-28/h3-11,23H,2,12-19H2,1H3,(H,27,31)
InChIKeyCOIBJJWXCIYSJN-UHFFFAOYSA-N
MW458.00 g/mol
LogP3.14
Rot. Bonds10

About 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide

2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide (PubChem CID 133214559) has the molecular formula C25H32ClN3O3 and a molecular weight of 458.00 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
PubChem CID133214559
Molecular FormulaC25H32ClN3O3
Molecular Weight458.00 g/mol
Exact Mass457.21
IUPAC Name2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
SMILESCCC(=O)N(Cc1ccc(Cl)cc1)C(Cc1ccccc1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C25H32ClN3O3/c1-2-24(30)29(19-21-8-10-22(26)11-9-21)23(18-20-6-4-3-5-7-20)25(31)27-12-13-28-14-16-32-17-15-28/h3-11,23H,2,12-19H2,1H3,(H,27,31)
InChIKeyCOIBJJWXCIYSJN-UHFFFAOYSA-N
XLogP3.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.00
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[benzyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 125046681
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 133236731
2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 110355487
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methyl-propanoylamino]-3-phenylpropanamide
CID 133214553
(2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100741850
N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide
CID 133148925
2-[(4-methoxyphenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 133236222
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 133214509
N-butyl-2-[(4-chlorophenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 133214218
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152610
2-[[2-(4-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132619208
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133214684

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide (CID 133214559) is 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide is CCC(=O)N(Cc1ccc(Cl)cc1)C(Cc1ccccc1)C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide?
The InChIKey is COIBJJWXCIYSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O3/c1-2-24(30)29(19-21-8-10-22(26)11-9-21)23(18-20-6-4-3-5-7-20)25(31)27-12-13-28-14-16-32-17-15-28/h3-11,23H,2,12-19H2,1H3,(H,27,31).
What are the key properties of 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide?
2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide has a molecular weight of 458.00 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide is sourced from PubChem (CID 133214559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).