benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate

C19H30N2O4 — CID 107254946

IUPACbenzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate
SMILESCOC(C)(C)CCNCC1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C19H30N2O4/c1-19(2,23-3)9-10-20-13-17-14-21(11-12-24-17)18(22)25-15-16-7-5-4-6-8-16/h4-8,17,20H,9-15H2,1-3H3
InChIKeyWKGPGEQYPABZEC-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.43
Rot. Bonds8

About benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate

benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate (PubChem CID 107254946) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate
PubChem CID107254946
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Namebenzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate
SMILESCOC(C)(C)CCNCC1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C19H30N2O4/c1-19(2,23-3)9-10-20-13-17-14-21(11-12-24-17)18(22)25-15-16-7-5-4-6-8-16/h4-8,17,20H,9-15H2,1-3H3
InChIKeyWKGPGEQYPABZEC-UHFFFAOYSA-N
XLogP2.43
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate 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 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107255000
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate
CID 24730238
benzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107254992
benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107254883
benzyl 2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107254957
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107254987
benzyl 2-[[(3-bromothiophen-2-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107254903
(4-phenylmethoxycarbonylmorpholin-2-yl)methanesulfinic acid
CID 165453803
benzyl 2-[(5-methylheptan-3-ylamino)methyl]morpholine-4-carboxylate
CID 107254875

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate?
The IUPAC name of benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate (CID 107254946) is benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate?
The canonical SMILES for benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate is COC(C)(C)CCNCC1CN(C(=O)OCc2ccccc2)CCO1.
What is the InChIKey of benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate?
The InChIKey is WKGPGEQYPABZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-19(2,23-3)9-10-20-13-17-14-21(11-12-24-17)18(22)25-15-16-7-5-4-6-8-16/h4-8,17,20H,9-15H2,1-3H3.
What are the key properties of benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate?
benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 107254946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).