benzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate

C18H24N4O3 — CID 107254992

IUPACbenzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate
SMILESCn1cncc1CNCC1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C18H24N4O3/c1-21-14-20-10-16(21)9-19-11-17-12-22(7-8-24-17)18(23)25-13-15-5-3-2-4-6-15/h2-6,10,14,17,19H,7-9,11-13H2,1H3
InChIKeyHTGIDXMUSPXSCP-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.55
Rot. Bonds6

About benzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate

benzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate (PubChem CID 107254992) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is benzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate
PubChem CID107254992
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Namebenzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate
SMILESCn1cncc1CNCC1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C18H24N4O3/c1-21-14-20-10-16(21)9-19-11-17-12-22(7-8-24-17)18(23)25-13-15-5-3-2-4-6-15/h2-6,10,14,17,19H,7-9,11-13H2,1H3
InChIKeyHTGIDXMUSPXSCP-UHFFFAOYSA-N
XLogP1.55
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzyl 2-[[(3-methylimidazol-4-yl)methylamino]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-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107254957
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107254883
benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107255000
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate
CID 107254946
benzyl 2-[[(3-bromothiophen-2-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107254903
tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate
CID 24730238
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107254987
(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-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate?
The IUPAC name of benzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate (CID 107254992) is benzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for benzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate?
The canonical SMILES for benzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate is Cn1cncc1CNCC1CN(C(=O)OCc2ccccc2)CCO1.
What is the InChIKey of benzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate?
The InChIKey is HTGIDXMUSPXSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-21-14-20-10-16(21)9-19-11-17-12-22(7-8-24-17)18(23)25-13-15-5-3-2-4-6-15/h2-6,10,14,17,19H,7-9,11-13H2,1H3.
What are the key properties of benzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate?
benzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 107254992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).