3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide

C24H31ClN2O5 — CID 43006626

IUPAC3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(c2ccc(OC)cc2)N2CCOCC2)cc1OC
InChIInChI=1S/C24H31ClN2O5/c1-4-11-32-23-20(25)14-18(15-22(23)30-3)24(28)26-16-21(27-9-12-31-13-10-27)17-5-7-19(29-2)8-6-17/h5-8,14-15,21H,4,9-13,16H2,1-3H3,(H,26,28)
InChIKeyHTGYQBIBEXODGD-UHFFFAOYSA-N
MW462.97 g/mol
LogP3.95
Rot. Bonds10

About 3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide

3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide (PubChem CID 43006626) has the molecular formula C24H31ClN2O5 and a molecular weight of 462.97 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide
PubChem CID43006626
Molecular FormulaC24H31ClN2O5
Molecular Weight462.97 g/mol
Exact Mass462.19
IUPAC Name3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(c2ccc(OC)cc2)N2CCOCC2)cc1OC
InChIInChI=1S/C24H31ClN2O5/c1-4-11-32-23-20(25)14-18(15-22(23)30-3)24(28)26-16-21(27-9-12-31-13-10-27)17-5-7-19(29-2)8-6-17/h5-8,14-15,21H,4,9-13,16H2,1-3H3,(H,26,28)
InChIKeyHTGYQBIBEXODGD-UHFFFAOYSA-N
XLogP3.95
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.97
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 18161673
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-ethoxy-4-propoxybenzamide
CID 29359882
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide
CID 35041728
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 43006617
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 7496625
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 2998590
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide (CID 43006626) is 3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NCC(c2ccc(OC)cc2)N2CCOCC2)cc1OC.
What is the InChIKey of 3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide?
The InChIKey is HTGYQBIBEXODGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O5/c1-4-11-32-23-20(25)14-18(15-22(23)30-3)24(28)26-16-21(27-9-12-31-13-10-27)17-5-7-19(29-2)8-6-17/h5-8,14-15,21H,4,9-13,16H2,1-3H3,(H,26,28).
What are the key properties of 3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide?
3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide has a molecular weight of 462.97 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide is sourced from PubChem (CID 43006626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).