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

C21H24N4O4 — CID 54832192

IUPACN-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C21H24N4O4/c1-22-20(27)16-3-2-4-18(13-16)24-19(26)14-23-17-7-5-15(6-8-17)21(28)25-9-11-29-12-10-25/h2-8,13,23H,9-12,14H2,1H3,(H,22,27)(H,24,26)
InChIKeyCBOAHYOTZJAABA-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.57
Rot. Bonds6

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

N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide (PubChem CID 54832192) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
PubChem CID54832192
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C21H24N4O4/c1-22-20(27)16-3-2-4-18(13-16)24-19(26)14-23-17-7-5-15(6-8-17)21(28)25-9-11-29-12-10-25/h2-8,13,23H,9-12,14H2,1H3,(H,22,27)(H,24,26)
InChIKeyCBOAHYOTZJAABA-UHFFFAOYSA-N
XLogP1.57
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001
N-tert-butyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834411
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
N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844342
N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832632
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836996
3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54831876
N-butan-2-yl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835046
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide (CID 54832192) is N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide?
The InChIKey is CBOAHYOTZJAABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-22-20(27)16-3-2-4-18(13-16)24-19(26)14-23-17-7-5-15(6-8-17)21(28)25-9-11-29-12-10-25/h2-8,13,23H,9-12,14H2,1H3,(H,22,27)(H,24,26).
What are the key properties of N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide?
N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide has a molecular weight of 396.45 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54832192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).