3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide

C21H33ClN2O4 — CID 29296275

IUPAC3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cc1OC
InChIInChI=1S/C21H33ClN2O4/c1-7-8-27-19-17(22)9-16(10-18(19)26-6)20(25)23-13-21(4,5)24-11-14(2)28-15(3)12-24/h9-10,14-15H,7-8,11-13H2,1-6H3,(H,23,25)/t14-,15+
InChIKeyCLQSXGGILKTWBE-GASCZTMLSA-N
MW412.96 g/mol
LogP3.76
Rot. Bonds8

About 3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide

3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide (PubChem CID 29296275) has the molecular formula C21H33ClN2O4 and a molecular weight of 412.96 g/mol. Its IUPAC name is 3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide
PubChem CID29296275
Molecular FormulaC21H33ClN2O4
Molecular Weight412.96 g/mol
Exact Mass412.21
IUPAC Name3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cc1OC
InChIInChI=1S/C21H33ClN2O4/c1-7-8-27-19-17(22)9-16(10-18(19)26-6)20(25)23-13-21(4,5)24-11-14(2)28-15(3)12-24/h9-10,14-15H,7-8,11-13H2,1-6H3,(H,23,25)/t14-,15+
InChIKeyCLQSXGGILKTWBE-GASCZTMLSA-N
XLogP3.76
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide 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-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 119642923
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide
CID 46446956
3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
CID 46532855
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 42940170
3-(azepan-1-ylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methoxybenzamide
CID 24646126
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166
N-(3-aminobutyl)-3-chloro-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119498520
3-[[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249590
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide
CID 112807261
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 47019977

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide (CID 29296275) is 3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cc1OC.
What is the InChIKey of 3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide?
The InChIKey is CLQSXGGILKTWBE-GASCZTMLSA-N. The full InChI is InChI=1S/C21H33ClN2O4/c1-7-8-27-19-17(22)9-16(10-18(19)26-6)20(25)23-13-21(4,5)24-11-14(2)28-15(3)12-24/h9-10,14-15H,7-8,11-13H2,1-6H3,(H,23,25)/t14-,15+.
What are the key properties of 3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide?
3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide has a molecular weight of 412.96 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 29296275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).