N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide

C21H30N2O6 — CID 42861731

IUPACN-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide
SMILESCOCC(=O)N1CCOC(CN(CC2CC2)C(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C21H30N2O6/c1-26-14-20(24)22-8-9-29-17(12-22)13-23(11-15-4-5-15)21(25)16-6-7-18(27-2)19(10-16)28-3/h6-7,10,15,17H,4-5,8-9,11-14H2,1-3H3
InChIKeyIWECXPBUYNMZJU-UHFFFAOYSA-N
MW406.48 g/mol
LogP1.43
Rot. Bonds9

About N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide

N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide (PubChem CID 42861731) has the molecular formula C21H30N2O6 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide
PubChem CID42861731
Molecular FormulaC21H30N2O6
Molecular Weight406.48 g/mol
Exact Mass406.21
IUPAC NameN-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide
SMILESCOCC(=O)N1CCOC(CN(CC2CC2)C(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C21H30N2O6/c1-26-14-20(24)22-8-9-29-17(12-22)13-23(11-15-4-5-15)21(25)16-6-7-18(27-2)19(10-16)28-3/h6-7,10,15,17H,4-5,8-9,11-14H2,1-3H3
InChIKeyIWECXPBUYNMZJU-UHFFFAOYSA-N
XLogP1.43
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide 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

N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060546
4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93337752
N-[2-(dimethylamino)ethyl]-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 42861666
2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060500
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 3347701
2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060538
[2-(chloromethyl)morpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 81210339
N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060542
(2R)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 92990154
N-[[(2R)-4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 93338959
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
CID 81197403
N-(3-chlorophenyl)-2-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]morpholine-4-carboxamide
CID 46059962

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide (CID 42861731) is N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide is COCC(=O)N1CCOC(CN(CC2CC2)C(=O)c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is IWECXPBUYNMZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O6/c1-26-14-20(24)22-8-9-29-17(12-22)13-23(11-15-4-5-15)21(25)16-6-7-18(27-2)19(10-16)28-3/h6-7,10,15,17H,4-5,8-9,11-14H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide?
N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 406.48 g/mol, XLogP of 1.43, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 42861731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).