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

C13H18N4O3 — CID 83102345

IUPAC4-[2-(4-aminoanilino)-2-oxoethyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H18N4O3/c14-9-1-3-10(4-2-9)16-12(18)7-17-5-6-20-8-11(17)13(15)19/h1-4,11H,5-8,14H2,(H2,15,19)(H,16,18)
InChIKeyGQQDNRKFVRTQSG-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.61
Rot. Bonds4

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

4-[2-(4-aminoanilino)-2-oxoethyl]morpholine-3-carboxamide (PubChem CID 83102345) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[2-(4-aminoanilino)-2-oxoethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(4-aminoanilino)-2-oxoethyl]morpholine-3-carboxamide
PubChem CID83102345
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name4-[2-(4-aminoanilino)-2-oxoethyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H18N4O3/c14-9-1-3-10(4-2-9)16-12(18)7-17-5-6-20-8-11(17)13(15)19/h1-4,11H,5-8,14H2,(H2,15,19)(H,16,18)
InChIKeyGQQDNRKFVRTQSG-UHFFFAOYSA-N
XLogP-0.61
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.61
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]-N-methylmorpholine-3-carboxamide
CID 83097786
4-[2-(2-benzylanilino)-2-oxoethyl]morpholine-3-carboxamide
CID 167744505
4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide
CID 83095436
4-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide
CID 83096573
4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83096073
(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 9405076
4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide
CID 83102235
4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide
CID 83095631
4-[2-(2,5-difluorophenyl)-2-oxoethyl]morpholine-3-carboxamide
CID 83096666
4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
4-[2-oxo-2-(oxolan-3-yl)ethyl]morpholine-3-carboxamide
CID 104751036
N-(3-amino-4-fluorophenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43611694

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminoanilino)-2-oxoethyl]morpholine-3-carboxamide?
The IUPAC name of 4-[2-(4-aminoanilino)-2-oxoethyl]morpholine-3-carboxamide (CID 83102345) is 4-[2-(4-aminoanilino)-2-oxoethyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(4-aminoanilino)-2-oxoethyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[2-(4-aminoanilino)-2-oxoethyl]morpholine-3-carboxamide is NC(=O)C1COCCN1CC(=O)Nc1ccc(N)cc1.
What is the InChIKey of 4-[2-(4-aminoanilino)-2-oxoethyl]morpholine-3-carboxamide?
The InChIKey is GQQDNRKFVRTQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c14-9-1-3-10(4-2-9)16-12(18)7-17-5-6-20-8-11(17)13(15)19/h1-4,11H,5-8,14H2,(H2,15,19)(H,16,18).
What are the key properties of 4-[2-(4-aminoanilino)-2-oxoethyl]morpholine-3-carboxamide?
4-[2-(4-aminoanilino)-2-oxoethyl]morpholine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.61, 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]morpholine-3-carboxamide is sourced from PubChem (CID 83102345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).