4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide

C15H23N3O3 — CID 83097776

IUPAC4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1Cc1ccc(OC)c(N)c1
InChIInChI=1S/C15H23N3O3/c1-3-17-15(19)13-10-21-7-6-18(13)9-11-4-5-14(20-2)12(16)8-11/h4-5,8,13H,3,6-7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyPWWKTGAKRAKORO-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.61
Rot. Bonds5

About 4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide

4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide (PubChem CID 83097776) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide
PubChem CID83097776
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1Cc1ccc(OC)c(N)c1
InChIInChI=1S/C15H23N3O3/c1-3-17-15(19)13-10-21-7-6-18(13)9-11-4-5-14(20-2)12(16)8-11/h4-5,8,13H,3,6-7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyPWWKTGAKRAKORO-UHFFFAOYSA-N
XLogP0.61
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83098389
4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83106227
4-[(4-amino-6-methylpyrimidin-2-yl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83103789
4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83106435
N-ethyl-4-[[6-(ethylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83105484
4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83106722
4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83098273
4-[(3-amino-5-methoxyphenyl)methyl]morpholine-3-carboxamide
CID 83101676
4-(3-amino-3-oxopropyl)-N-ethylmorpholine-3-carboxamide
CID 83103716
4-(5-amino-6-methoxy-2-pyridinyl)-N-ethylmorpholine-3-carboxamide
CID 83106690
4-[(4-cyano-3-methoxyphenyl)methyl]morpholine-3-carboxylic acid
CID 106792559
4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83097683

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide (CID 83097776) is 4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1Cc1ccc(OC)c(N)c1.
What is the InChIKey of 4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide?
The InChIKey is PWWKTGAKRAKORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-17-15(19)13-10-21-7-6-18(13)9-11-4-5-14(20-2)12(16)8-11/h4-5,8,13H,3,6-7,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide?
4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83097776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).