tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate

C27H46N4O6 — CID 159216706

IUPACtert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CN(Cc2ccccc2)CCO1.CC(C)(C)OC(=O)NCC1CNCCO1
InChIInChI=1S/C17H26N2O3.C10H20N2O3/c1-17(2,3)22-16(20)18-11-15-13-19(9-10-21-15)12-14-7-5-4-6-8-14;1-10(2,3)15-9(13)12-7-8-6-11-4-5-14-8/h4-8,15H,9-13H2,1-3H3,(H,18,20);8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyKRDXYFMMWYDLKC-UHFFFAOYSA-N
MW522.69 g/mol
LogP2.91
Rot. Bonds6

About tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate

tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate (PubChem CID 159216706) has the molecular formula C27H46N4O6 and a molecular weight of 522.69 g/mol. Its IUPAC name is tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate
PubChem CID159216706
Molecular FormulaC27H46N4O6
Molecular Weight522.69 g/mol
Exact Mass522.34
IUPAC Nametert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CN(Cc2ccccc2)CCO1.CC(C)(C)OC(=O)NCC1CNCCO1
InChIInChI=1S/C17H26N2O3.C10H20N2O3/c1-17(2,3)22-16(20)18-11-15-13-19(9-10-21-15)12-14-7-5-4-6-8-14;1-10(2,3)15-9(13)12-7-8-6-11-4-5-14-8/h4-8,15H,9-13H2,1-3H3,(H,18,20);8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyKRDXYFMMWYDLKC-UHFFFAOYSA-N
XLogP2.91
TPSA110.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.69
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)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

tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane
CID 143612680
benzyl N-(morpholin-2-ylmethyl)carbamate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)morpholine-4-carboxylate;dihydrochloride
CID 160880522
tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate
CID 143491953
tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 42556133
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate
CID 53338708
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829877
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate (CID 159216706) is tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC1CN(Cc2ccccc2)CCO1.CC(C)(C)OC(=O)NCC1CNCCO1.
What is the InChIKey of tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate?
The InChIKey is KRDXYFMMWYDLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.C10H20N2O3/c1-17(2,3)22-16(20)18-11-15-13-19(9-10-21-15)12-14-7-5-4-6-8-14;1-10(2,3)15-9(13)12-7-8-6-11-4-5-14-8/h4-8,15H,9-13H2,1-3H3,(H,18,20);8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate?
tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate has a molecular weight of 522.69 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate is sourced from PubChem (CID 159216706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).