N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide

C28H30N4O4 — CID 54831877

IUPACN-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C28H30N4O4/c1-31(20-21-6-3-2-4-7-21)27(34)23-8-5-9-25(18-23)30-26(33)19-29-24-12-10-22(11-13-24)28(35)32-14-16-36-17-15-32/h2-13,18,29H,14-17,19-20H2,1H3,(H,30,33)
InChIKeyGZQPXNOQEFTBSZ-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.48
Rot. Bonds8

About N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide

N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide (PubChem CID 54831877) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
PubChem CID54831877
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC NameN-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C28H30N4O4/c1-31(20-21-6-3-2-4-7-21)27(34)23-8-5-9-25(18-23)30-26(33)19-29-24-12-10-22(11-13-24)28(35)32-14-16-36-17-15-32/h2-13,18,29H,14-17,19-20H2,1H3,(H,30,33)
InChIKeyGZQPXNOQEFTBSZ-UHFFFAOYSA-N
XLogP3.48
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54830775
N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841183
N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832065
N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54840817
3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54831876
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832192
2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54836716
3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841277
N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839339
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide (CID 54831877) is N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide is CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide?
The InChIKey is GZQPXNOQEFTBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-31(20-21-6-3-2-4-7-21)27(34)23-8-5-9-25(18-23)30-26(33)19-29-24-12-10-22(11-13-24)28(35)32-14-16-36-17-15-32/h2-13,18,29H,14-17,19-20H2,1H3,(H,30,33).
What are the key properties of N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide?
N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide has a molecular weight of 486.57 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54831877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).