2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide

C21H22N4O3 — CID 48501237

IUPAC2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCc1c(NC(=O)CNc2ccc(C#N)cc2)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C21H22N4O3/c1-15-18(21(27)25-9-11-28-12-10-25)3-2-4-19(15)24-20(26)14-23-17-7-5-16(13-22)6-8-17/h2-8,23H,9-12,14H2,1H3,(H,24,26)
InChIKeyDWMHQSDSNRYJRC-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.39
Rot. Bonds5

About 2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide

2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 48501237) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID48501237
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCc1c(NC(=O)CNc2ccc(C#N)cc2)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C21H22N4O3/c1-15-18(21(27)25-9-11-28-12-10-25)3-2-4-19(15)24-20(26)14-23-17-7-5-16(13-22)6-8-17/h2-8,23H,9-12,14H2,1H3,(H,24,26)
InChIKeyDWMHQSDSNRYJRC-UHFFFAOYSA-N
XLogP2.39
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521727
N-[2-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54845041
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119304348
4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 136578771
N-(2-ethoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54831932
2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109010682
2-cyclopropyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]propanamide
CID 126786282
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119750611
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569430
N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832192

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide (CID 48501237) is 2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide is Cc1c(NC(=O)CNc2ccc(C#N)cc2)cccc1C(=O)N1CCOCC1.
What is the InChIKey of 2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is DWMHQSDSNRYJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15-18(21(27)25-9-11-28-12-10-25)3-2-4-19(15)24-20(26)14-23-17-7-5-16(13-22)6-8-17/h2-8,23H,9-12,14H2,1H3,(H,24,26).
What are the key properties of 2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide?
2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 48501237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).