3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide

C23H29N3O3 — CID 78810432

IUPAC3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NCc1ccccc1CN1CCOCC1)c1ccccc1
InChIInChI=1S/C23H29N3O3/c1-18(27)25-22(19-7-3-2-4-8-19)15-23(28)24-16-20-9-5-6-10-21(20)17-26-11-13-29-14-12-26/h2-10,22H,11-17H2,1H3,(H,24,28)(H,25,27)
InChIKeyUDEXLVYDHIHJNZ-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.40
Rot. Bonds8

About 3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide

3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide (PubChem CID 78810432) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide
PubChem CID78810432
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NCc1ccccc1CN1CCOCC1)c1ccccc1
InChIInChI=1S/C23H29N3O3/c1-18(27)25-22(19-7-3-2-4-8-19)15-23(28)24-16-20-9-5-6-10-21(20)17-26-11-13-29-14-12-26/h2-10,22H,11-17H2,1H3,(H,24,28)(H,25,27)
InChIKeyUDEXLVYDHIHJNZ-UHFFFAOYSA-N
XLogP2.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
(3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide
CID 9073272
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
2-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60668732
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylpentanamide
CID 134049550
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylsulfanylpropanamide
CID 9481241
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970
N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147
4-[[(3-acetamido-3-phenylpropanoyl)amino]methyl]oxane-4-carboxylic acid
CID 120542726
2-(2-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 51207846
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide (CID 78810432) is 3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide is CC(=O)NC(CC(=O)NCc1ccccc1CN1CCOCC1)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide?
The InChIKey is UDEXLVYDHIHJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18(27)25-22(19-7-3-2-4-8-19)15-23(28)24-16-20-9-5-6-10-21(20)17-26-11-13-29-14-12-26/h2-10,22H,11-17H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide?
3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide has a molecular weight of 395.50 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 78810432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).