tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate

C15H26N2O3 — CID 139520312

IUPACtert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate
SMILESC=CC(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C15H26N2O3/c1-5-12(18)16-11-15(9-7-6-8-10-15)17-13(19)20-14(2,3)4/h5H,1,6-11H2,2-4H3,(H,16,18)(H,17,19)
InChIKeyHYTBTGWPXARKLC-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.52
Rot. Bonds4

About tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate

tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate (PubChem CID 139520312) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate
PubChem CID139520312
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate
SMILESC=CC(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C15H26N2O3/c1-5-12(18)16-11-15(9-7-6-8-10-15)17-13(19)20-14(2,3)4/h5H,1,6-11H2,2-4H3,(H,16,18)(H,17,19)
InChIKeyHYTBTGWPXARKLC-UHFFFAOYSA-N
XLogP2.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]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-[1-[[(2-cyano-2-methylpropanoyl)amino]methyl]cycloheptyl]carbamate
CID 60545492
tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate
CID 165465025
tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
CID 91758204
tert-butyl N-[1-[(2-methylsulfanylpropanoylamino)methyl]cycloheptyl]carbamate
CID 60545414
tert-butyl N-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cycloheptyl]carbamate
CID 87036408
tert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate
CID 60545517
tert-butyl N-[1-[[(4-carbamoylbenzoyl)amino]methyl]cycloheptyl]carbamate
CID 31863487
tert-butyl N-[1-[[(2-bromobenzoyl)amino]methyl]cycloheptyl]carbamate
CID 31862544
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247
tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
CID 99988243
tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106
tert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate
CID 31863595

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate (CID 139520312) is tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate is C=CC(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1.
What is the InChIKey of tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate?
The InChIKey is HYTBTGWPXARKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-12(18)16-11-15(9-7-6-8-10-15)17-13(19)20-14(2,3)4/h5H,1,6-11H2,2-4H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate?
tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate has a molecular weight of 282.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate is sourced from PubChem (CID 139520312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).