4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide

C20H23N3O3 — CID 167744505

IUPAC4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1CC(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C20H23N3O3/c21-20(25)18-14-26-11-10-23(18)13-19(24)22-17-9-5-4-8-16(17)12-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H2,21,25)(H,22,24)
InChIKeyUTOCHOFCPQDXKL-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.40
Rot. Bonds6

About 4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide

4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide (PubChem CID 167744505) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide
PubChem CID167744505
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1CC(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C20H23N3O3/c21-20(25)18-14-26-11-10-23(18)13-19(24)22-17-9-5-4-8-16(17)12-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H2,21,25)(H,22,24)
InChIKeyUTOCHOFCPQDXKL-UHFFFAOYSA-N
XLogP1.40
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83096073
4-[2-(4-aminoanilino)-2-oxoethyl]morpholine-3-carboxamide
CID 83102345
N-(2-benzylphenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 39902316
N-(2-benzylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8900246
N-ethyl-4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83101765
4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide
CID 83095375
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide
CID 83092917
N-(2-benzylphenyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide
CID 100880959
(2S)-N-(2-benzylphenyl)-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
CID 95786679
4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide
CID 83095436

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide?
The IUPAC name of 4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide (CID 167744505) is 4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide is NC(=O)C1COCCN1CC(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of 4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide?
The InChIKey is UTOCHOFCPQDXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c21-20(25)18-14-26-11-10-23(18)13-19(24)22-17-9-5-4-8-16(17)12-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H2,21,25)(H,22,24).
What are the key properties of 4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide?
4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide is sourced from PubChem (CID 167744505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).