N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide

C22H27ClN2O5 — CID 35041728

IUPACN-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C22H27ClN2O5/c1-27-19-12-15(13-20(28-2)21(19)29-3)22(26)24-14-18(25-8-10-30-11-9-25)16-6-4-5-7-17(16)23/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeySKYFZAHBTIVJMI-GOSISDBHSA-N
MW434.92 g/mol
LogP3.17
Rot. Bonds8

About N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide

N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide (PubChem CID 35041728) has the molecular formula C22H27ClN2O5 and a molecular weight of 434.92 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide
PubChem CID35041728
Molecular FormulaC22H27ClN2O5
Molecular Weight434.92 g/mol
Exact Mass434.16
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C22H27ClN2O5/c1-27-19-12-15(13-20(28-2)21(19)29-3)22(26)24-14-18(25-8-10-30-11-9-25)16-6-4-5-7-17(16)23/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeySKYFZAHBTIVJMI-GOSISDBHSA-N
XLogP3.17
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.92
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 46398915
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17012011
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide
CID 17012199
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide;hydrochloride
CID 52984554
3,4,5-trimethoxy-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 9094127
3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide
CID 41453918
3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide
CID 16813221
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide
CID 35041715
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide
CID 35041682
3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 35041734
2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide
CID 55609908

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide (CID 35041728) is N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc(OC)c1OC.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is SKYFZAHBTIVJMI-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27ClN2O5/c1-27-19-12-15(13-20(28-2)21(19)29-3)22(26)24-14-18(25-8-10-30-11-9-25)16-6-4-5-7-17(16)23/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,24,26)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide?
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 434.92 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 35041728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).