4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide

C14H20N4O3 — CID 83097786

IUPAC4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H20N4O3/c1-16-14(20)12-9-21-7-6-18(12)8-13(19)17-11-4-2-10(15)3-5-11/h2-5,12H,6-9,15H2,1H3,(H,16,20)(H,17,19)
InChIKeyYVYFDFOMKGBENB-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.35
Rot. Bonds4

About 4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide

4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83097786) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
PubChem CID83097786
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H20N4O3/c1-16-14(20)12-9-21-7-6-18(12)8-13(19)17-11-4-2-10(15)3-5-11/h2-5,12H,6-9,15H2,1H3,(H,16,20)(H,17,19)
InChIKeyYVYFDFOMKGBENB-UHFFFAOYSA-N
XLogP-0.35
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-aminoanilino)-2-oxoethyl]morpholine-3-carboxamide
CID 83102345
4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 83106155
4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83102810
4-[2-(2-chlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103176
N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 83102887
4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101980
4-[2-(3,4-difluorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101984
4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide
CID 83107170
4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103671
4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83102101
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103244

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide (CID 83097786) is 4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1CC(=O)Nc1ccc(N)cc1.
What is the InChIKey of 4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is YVYFDFOMKGBENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-16-14(20)12-9-21-7-6-18(12)8-13(19)17-11-4-2-10(15)3-5-11/h2-5,12H,6-9,15H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83097786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).