benzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate

C24H30N2O6 — CID 92758542

IUPACbenzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate
SMILESCOc1ccccc1OC[C@@H]1CN(C(=O)CCCNC(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C24H30N2O6/c1-29-21-10-5-6-11-22(21)31-18-20-16-26(14-15-30-20)23(27)12-7-13-25-24(28)32-17-19-8-3-2-4-9-19/h2-6,8-11,20H,7,12-18H2,1H3,(H,25,28)/t20-/m0/s1
InChIKeyMYQGHGJDTSKCHF-FQEVSTJZSA-N
MW442.51 g/mol
LogP3.01
Rot. Bonds10

About benzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate

benzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate (PubChem CID 92758542) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is benzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate
PubChem CID92758542
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Namebenzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate
SMILESCOc1ccccc1OC[C@@H]1CN(C(=O)CCCNC(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C24H30N2O6/c1-29-21-10-5-6-11-22(21)31-18-20-16-26(14-15-30-20)23(27)12-7-13-25-24(28)32-17-19-8-3-2-4-9-19/h2-6,8-11,20H,7,12-18H2,1H3,(H,25,28)/t20-/m0/s1
InChIKeyMYQGHGJDTSKCHF-FQEVSTJZSA-N
XLogP3.01
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze benzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate 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

benzyl N-[4-oxo-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]butyl]carbamate
CID 46100191
benzyl N-[3-[(2R)-2-[(2,6-dichlorophenyl)methoxymethyl]morpholin-4-yl]-3-oxopropyl]carbamate
CID 92760316
1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 46100107
2-[(2R)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979589
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088
2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894900
methyl 2-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetate
CID 102567692
benzyl N-[1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl]carbamate
CID 46100288
N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide
CID 97064108
(2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 92758229
(6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 92759778
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate?
The IUPAC name of benzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate (CID 92758542) is benzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate.
What is the SMILES notation for benzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate?
The canonical SMILES for benzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate is COc1ccccc1OC[C@@H]1CN(C(=O)CCCNC(=O)OCc2ccccc2)CCO1.
What is the InChIKey of benzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate?
The InChIKey is MYQGHGJDTSKCHF-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-29-21-10-5-6-11-22(21)31-18-20-16-26(14-15-30-20)23(27)12-7-13-25-24(28)32-17-19-8-3-2-4-9-19/h2-6,8-11,20H,7,12-18H2,1H3,(H,25,28)/t20-/m0/s1.
What are the key properties of benzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate?
benzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate has a molecular weight of 442.51 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate is sourced from PubChem (CID 92758542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).