N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide

C28H30N4O4 — CID 54839339

IUPACN-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NCC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C28H30N4O4/c33-26(15-6-21-4-2-1-3-5-21)30-25-13-11-23(12-14-25)29-20-27(34)31-24-9-7-22(8-10-24)28(35)32-16-18-36-19-17-32/h1-5,7-14,29H,6,15-20H2,(H,30,33)(H,31,34)
InChIKeyLHCDIUZJMJCHOW-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.78
Rot. Bonds9

About N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide

N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 54839339) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
PubChem CID54839339
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC NameN-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NCC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C28H30N4O4/c33-26(15-6-21-4-2-1-3-5-21)30-25-13-11-23(12-14-25)29-20-27(34)31-24-9-7-22(8-10-24)28(35)32-16-18-36-19-17-32/h1-5,7-14,29H,6,15-20H2,(H,30,33)(H,31,34)
InChIKeyLHCDIUZJMJCHOW-UHFFFAOYSA-N
XLogP3.78
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54836716
N-[4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839493
2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54832122
N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837346
N-[4-(morpholine-4-carbonyl)phenyl]-2-(naphthalen-2-ylamino)acetamide
CID 54839830
N-ethyl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839441
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832065
N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54831877
3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54832093

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide (CID 54839339) is N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(NCC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is LHCDIUZJMJCHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c33-26(15-6-21-4-2-1-3-5-21)30-25-13-11-23(12-14-25)29-20-27(34)31-24-9-7-22(8-10-24)28(35)32-16-18-36-19-17-32/h1-5,7-14,29H,6,15-20H2,(H,30,33)(H,31,34).
What are the key properties of N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide?
N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 486.57 g/mol, XLogP of 3.78, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54839339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).