benzyl N-[3-[(2R)-2-[(2,6-dichlorophenyl)methoxymethyl]morpholin-4-yl]-3-oxopropyl]carbamate

C23H26Cl2N2O5 — CID 92760316

IUPACbenzyl N-[3-[(2R)-2-[(2,6-dichlorophenyl)methoxymethyl]morpholin-4-yl]-3-oxopropyl]carbamate
SMILESO=C(NCCC(=O)N1CCO[C@@H](COCc2c(Cl)cccc2Cl)C1)OCc1ccccc1
InChIInChI=1S/C23H26Cl2N2O5/c24-20-7-4-8-21(25)19(20)16-30-15-18-13-27(11-12-31-18)22(28)9-10-26-23(29)32-14-17-5-2-1-3-6-17/h1-8,18H,9-16H2,(H,26,29)/t18-/m1/s1
InChIKeyLMAFXUUWUXRXIA-GOSISDBHSA-N
MW481.38 g/mol
LogP4.05
Rot. Bonds9

About benzyl N-[3-[(2R)-2-[(2,6-dichlorophenyl)methoxymethyl]morpholin-4-yl]-3-oxopropyl]carbamate

benzyl N-[3-[(2R)-2-[(2,6-dichlorophenyl)methoxymethyl]morpholin-4-yl]-3-oxopropyl]carbamate (PubChem CID 92760316) has the molecular formula C23H26Cl2N2O5 and a molecular weight of 481.38 g/mol. Its IUPAC name is benzyl N-[3-[(2R)-2-[(2,6-dichlorophenyl)methoxymethyl]morpholin-4-yl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(2R)-2-[(2,6-dichlorophenyl)methoxymethyl]morpholin-4-yl]-3-oxopropyl]carbamate
PubChem CID92760316
Molecular FormulaC23H26Cl2N2O5
Molecular Weight481.38 g/mol
Exact Mass480.12
IUPAC Namebenzyl N-[3-[(2R)-2-[(2,6-dichlorophenyl)methoxymethyl]morpholin-4-yl]-3-oxopropyl]carbamate
SMILESO=C(NCCC(=O)N1CCO[C@@H](COCc2c(Cl)cccc2Cl)C1)OCc1ccccc1
InChIInChI=1S/C23H26Cl2N2O5/c24-20-7-4-8-21(25)19(20)16-30-15-18-13-27(11-12-31-18)22(28)9-10-26-23(29)32-14-17-5-2-1-3-6-17/h1-8,18H,9-16H2,(H,26,29)/t18-/m1/s1
InChIKeyLMAFXUUWUXRXIA-GOSISDBHSA-N
XLogP4.05
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate
CID 92758542
benzyl N-[4-oxo-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]butyl]carbamate
CID 46100191
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81210940
benzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 42697137
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
benzyl N-[(2S)-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propan-2-yl]carbamate
CID 18157233
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
[1-(2-oxoheptyl)-4-[3-(phenylmethoxycarbonylamino)propanoyl]piperazin-2-yl]methyl propanoate
CID 160721569
(4-phenylmethoxycarbonylmorpholin-2-yl)methanesulfinic acid
CID 165453803

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(2R)-2-[(2,6-dichlorophenyl)methoxymethyl]morpholin-4-yl]-3-oxopropyl]carbamate?
The IUPAC name of benzyl N-[3-[(2R)-2-[(2,6-dichlorophenyl)methoxymethyl]morpholin-4-yl]-3-oxopropyl]carbamate (CID 92760316) is benzyl N-[3-[(2R)-2-[(2,6-dichlorophenyl)methoxymethyl]morpholin-4-yl]-3-oxopropyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(2R)-2-[(2,6-dichlorophenyl)methoxymethyl]morpholin-4-yl]-3-oxopropyl]carbamate?
The canonical SMILES for benzyl N-[3-[(2R)-2-[(2,6-dichlorophenyl)methoxymethyl]morpholin-4-yl]-3-oxopropyl]carbamate is O=C(NCCC(=O)N1CCO[C@@H](COCc2c(Cl)cccc2Cl)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[(2R)-2-[(2,6-dichlorophenyl)methoxymethyl]morpholin-4-yl]-3-oxopropyl]carbamate?
The InChIKey is LMAFXUUWUXRXIA-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26Cl2N2O5/c24-20-7-4-8-21(25)19(20)16-30-15-18-13-27(11-12-31-18)22(28)9-10-26-23(29)32-14-17-5-2-1-3-6-17/h1-8,18H,9-16H2,(H,26,29)/t18-/m1/s1.
What are the key properties of benzyl N-[3-[(2R)-2-[(2,6-dichlorophenyl)methoxymethyl]morpholin-4-yl]-3-oxopropyl]carbamate?
benzyl N-[3-[(2R)-2-[(2,6-dichlorophenyl)methoxymethyl]morpholin-4-yl]-3-oxopropyl]carbamate has a molecular weight of 481.38 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(2R)-2-[(2,6-dichlorophenyl)methoxymethyl]morpholin-4-yl]-3-oxopropyl]carbamate is sourced from PubChem (CID 92760316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).