N-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide

C23H26N2O4 — CID 78790947

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCC1(C(=O)NCC2CN(Cc3ccccc3)CCO2)Cc2ccccc2C(=O)O1
InChIInChI=1S/C23H26N2O4/c1-23(13-18-9-5-6-10-20(18)21(26)29-23)22(27)24-14-19-16-25(11-12-28-19)15-17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3,(H,24,27)
InChIKeyBKSMCZDHHYTOEI-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.18
Rot. Bonds5

About N-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide

N-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide (PubChem CID 78790947) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
PubChem CID78790947
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCC1(C(=O)NCC2CN(Cc3ccccc3)CCO2)Cc2ccccc2C(=O)O1
InChIInChI=1S/C23H26N2O4/c1-23(13-18-9-5-6-10-20(18)21(26)29-23)22(27)24-14-19-16-25(11-12-28-19)15-17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3,(H,24,27)
InChIKeyBKSMCZDHHYTOEI-UHFFFAOYSA-N
XLogP2.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-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

(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 43064056
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
N-[(4-benzylmorpholin-2-yl)methyl]-9-oxofluorene-2-carboxamide
CID 42939286
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842
1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
CID 43022671
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30531255
2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 119829814

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide (CID 78790947) is N-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide is CC1(C(=O)NCC2CN(Cc3ccccc3)CCO2)Cc2ccccc2C(=O)O1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The InChIKey is BKSMCZDHHYTOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-23(13-18-9-5-6-10-20(18)21(26)29-23)22(27)24-14-19-16-25(11-12-28-19)15-17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3,(H,24,27).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
N-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide is sourced from PubChem (CID 78790947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).