N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide

C19H23N3O3 — CID 119420780

IUPACN-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide
SMILESCOc1ccc(N)c(NC(=O)C2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C19H23N3O3/c1-24-15-7-8-16(20)17(11-15)21-19(23)18-13-22(9-10-25-18)12-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13,20H2,1H3,(H,21,23)
InChIKeyRYJXNKMNTYPXOL-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.12
Rot. Bonds5

About N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide

N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide (PubChem CID 119420780) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide
PubChem CID119420780
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide
SMILESCOc1ccc(N)c(NC(=O)C2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C19H23N3O3/c1-24-15-7-8-16(20)17(11-15)21-19(23)18-13-22(9-10-25-18)12-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13,20H2,1H3,(H,21,23)
InChIKeyRYJXNKMNTYPXOL-UHFFFAOYSA-N
XLogP2.12
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide
CID 95775872
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide
CID 63258036
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide
CID 162705279
cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone
CID 99786810
(2S)-N-ethyl-4-[(3-phenoxyphenyl)methyl]morpholine-2-carboxamide
CID 125486482
(2S)-4-benzyl-N-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]morpholine-2-carboxamide
CID 96536863
N-(2-amino-5-methoxyphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 119420626
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide (CID 119420780) is N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide is COc1ccc(N)c(NC(=O)C2CN(Cc3ccccc3)CCO2)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide?
The InChIKey is RYJXNKMNTYPXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-15-7-8-16(20)17(11-15)21-19(23)18-13-22(9-10-25-18)12-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13,20H2,1H3,(H,21,23).
What are the key properties of N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide?
N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide is sourced from PubChem (CID 119420780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).