4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide

C13H18N4O3 — CID 83101795

IUPAC4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide
SMILESNC(=O)c1ccc(CN2CCOCC2C(N)=O)c(N)c1
InChIInChI=1S/C13H18N4O3/c14-10-5-8(12(15)18)1-2-9(10)6-17-3-4-20-7-11(17)13(16)19/h1-2,5,11H,3-4,6-7,14H2,(H2,15,18)(H2,16,19)
InChIKeyZWYKCMOQRBNPHW-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.95
Rot. Bonds4

About 4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide

4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide (PubChem CID 83101795) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide
PubChem CID83101795
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide
SMILESNC(=O)c1ccc(CN2CCOCC2C(N)=O)c(N)c1
InChIInChI=1S/C13H18N4O3/c14-10-5-8(12(15)18)1-2-9(10)6-17-3-4-20-7-11(17)13(16)19/h1-2,5,11H,3-4,6-7,14H2,(H2,15,18)(H2,16,19)
InChIKeyZWYKCMOQRBNPHW-UHFFFAOYSA-N
XLogP-0.95
TPSA124.67 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 ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[2-bromo-4-(hydrazinecarbonyl)phenyl]methyl]morpholine-3-carboxamide
CID 102774750
4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide
CID 83102235
4-[(2-amino-5-nitrophenyl)methyl]morpholine-3-carboxamide
CID 83095659
4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide
CID 83092917
4-[(5-aminoquinolin-8-yl)methyl]morpholine-3-carboxamide
CID 83096763
4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
(3S)-4-[[3-(4-carbamoyl-2-methylphenyl)-5-hydroxyphenyl]methyl]morpholine-3-carboxamide
CID 170764378
5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 83095889
4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095376
4-[(2-amino-6-bromophenyl)methyl]morpholine-3-carboxamide
CID 83102348
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 83095890

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide (CID 83101795) is 4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide is NC(=O)c1ccc(CN2CCOCC2C(N)=O)c(N)c1.
What is the InChIKey of 4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide?
The InChIKey is ZWYKCMOQRBNPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c14-10-5-8(12(15)18)1-2-9(10)6-17-3-4-20-7-11(17)13(16)19/h1-2,5,11H,3-4,6-7,14H2,(H2,15,18)(H2,16,19).
What are the key properties of 4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide?
4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 83101795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).