N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide

C22H25N3O4 — CID 55748980

IUPACN-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C22H25N3O4/c26-20(9-10-23-21(27)15-17-5-2-1-3-6-17)24-19-8-4-7-18(16-19)22(28)25-11-13-29-14-12-25/h1-8,16H,9-15H2,(H,23,27)(H,24,26)
InChIKeyDPSBBUNBTUPDNU-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.85
Rot. Bonds7

About N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide

N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 55748980) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
PubChem CID55748980
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C22H25N3O4/c26-20(9-10-23-21(27)15-17-5-2-1-3-6-17)24-19-8-4-7-18(16-19)22(28)25-11-13-29-14-12-25/h1-8,16H,9-15H2,(H,23,27)(H,24,26)
InChIKeyDPSBBUNBTUPDNU-UHFFFAOYSA-N
XLogP1.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54813737
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54836716
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 42628397
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832065
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
N-[3-(morpholine-4-carbonyl)phenyl]-2-phenylmethoxybenzamide
CID 175178131
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836996
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55748941
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide (CID 55748980) is N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide is O=C(Cc1ccccc1)NCCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is DPSBBUNBTUPDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-20(9-10-23-21(27)15-17-5-2-1-3-6-17)24-19-8-4-7-18(16-19)22(28)25-11-13-29-14-12-25/h1-8,16H,9-15H2,(H,23,27)(H,24,26).
What are the key properties of N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide?
N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 395.46 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 55748980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).