tert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate

C16H25N3O3 — CID 175189044

IUPACtert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)N(N)c1ccc(CC2CNCCO2)cc1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19(17)13-6-4-12(5-7-13)10-14-11-18-8-9-21-14/h4-7,14,18H,8-11,17H2,1-3H3
InChIKeyKGSZNXRBJQJJFV-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.83
Rot. Bonds3

About tert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate

tert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate (PubChem CID 175189044) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate
PubChem CID175189044
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)N(N)c1ccc(CC2CNCCO2)cc1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19(17)13-6-4-12(5-7-13)10-14-11-18-8-9-21-14/h4-7,14,18H,8-11,17H2,1-3H3
InChIKeyKGSZNXRBJQJJFV-UHFFFAOYSA-N
XLogP1.83
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]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-amino-N-[4-(hydroxymethyl)phenyl]carbamate
CID 101478872
[4-(morpholin-2-ylmethyl)phenyl]methanamine
CID 174949580
2-[(4-bromophenyl)methyl]morpholine
CID 66730468
tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 42556133
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate
CID 68507128
tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate
CID 97056703
2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol
CID 88670250
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66428059
morpholin-2-ylmethyl N,N-dimethylcarbamate
CID 114469366
2-[(4-piperidin-3-ylphenyl)methyl]morpholine
CID 116988313
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(morpholin-2-ylmethyl)acetamide
CID 112603538
2-[(3,4-diethoxyphenyl)methyl]morpholine
CID 116989260

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate (CID 175189044) is tert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate is CC(C)(C)OC(=O)N(N)c1ccc(CC2CNCCO2)cc1.
What is the InChIKey of tert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate?
The InChIKey is KGSZNXRBJQJJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19(17)13-6-4-12(5-7-13)10-14-11-18-8-9-21-14/h4-7,14,18H,8-11,17H2,1-3H3.
What are the key properties of tert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate?
tert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate is sourced from PubChem (CID 175189044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).