tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate

C17H24N2O4 — CID 135183986

IUPACtert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1CNC(=O)c1ccccc1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-9-10-22-12-14(19)11-18-15(20)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,20)
InChIKeySYTVOCQGDYVAKE-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.05
Rot. Bonds3

About tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate

tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate (PubChem CID 135183986) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate
PubChem CID135183986
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nametert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1CNC(=O)c1ccccc1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-9-10-22-12-14(19)11-18-15(20)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,20)
InChIKeySYTVOCQGDYVAKE-UHFFFAOYSA-N
XLogP2.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(benzamidomethyl)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

tert-butyl (3R)-3-[[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]methyl]morpholine-4-carboxylate
CID 140891860
tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 20648537
tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107249690
tert-butyl 3-[2-(4-methylphenyl)-2-oxoethyl]morpholine-4-carboxylate
CID 104855099
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042
tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
CID 107249604
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107249666
tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104624433
tert-butyl 2-[[(3-fluorobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 123815493
N-[[4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]-4-[N-(2,2,2-trifluoroacetyl)carbamimidoyl]benzamide
CID 171924583

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate (CID 135183986) is tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1CNC(=O)c1ccccc1.
What is the InChIKey of tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate?
The InChIKey is SYTVOCQGDYVAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-9-10-22-12-14(19)11-18-15(20)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate?
tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate is sourced from PubChem (CID 135183986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).