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

C21H24N4O4 — CID 54831502

IUPAC2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C21H24N4O4/c1-15(26)23-19-7-3-5-17(13-19)22-14-20(27)24-18-6-2-4-16(12-18)21(28)25-8-10-29-11-9-25/h2-7,12-13,22H,8-11,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyNNSSQEYVNODGEA-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.17
Rot. Bonds6

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

2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 54831502) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID54831502
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C21H24N4O4/c1-15(26)23-19-7-3-5-17(13-19)22-14-20(27)24-18-6-2-4-16(12-18)21(28)25-8-10-29-11-9-25/h2-7,12-13,22H,8-11,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyNNSSQEYVNODGEA-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide
CID 54836346
N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844342
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836996
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375
2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001
2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54826101
N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54840817
2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54809150
N-tert-butyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834411
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822646

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide (CID 54831502) is 2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide is CC(=O)Nc1cccc(NCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is NNSSQEYVNODGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-15(26)23-19-7-3-5-17(13-19)22-14-20(27)24-18-6-2-4-16(12-18)21(28)25-8-10-29-11-9-25/h2-7,12-13,22H,8-11,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 396.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54831502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).