prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate

C13H24N2O4 — CID 89280805

IUPACprop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate
SMILESC=CCOC(=O)NCCCCNC(=O)COC(C)C
InChIInChI=1S/C13H24N2O4/c1-4-9-18-13(17)15-8-6-5-7-14-12(16)10-19-11(2)3/h4,11H,1,5-10H2,2-3H3,(H,14,16)(H,15,17)
InChIKeyPVQBISMSCXOLPH-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.22
Rot. Bonds10

About prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate

prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate (PubChem CID 89280805) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate
PubChem CID89280805
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nameprop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate
SMILESC=CCOC(=O)NCCCCNC(=O)COC(C)C
InChIInChI=1S/C13H24N2O4/c1-4-9-18-13(17)15-8-6-5-7-14-12(16)10-19-11(2)3/h4,11H,1,5-10H2,2-3H3,(H,14,16)(H,15,17)
InChIKeyPVQBISMSCXOLPH-UHFFFAOYSA-N
XLogP1.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-2-propan-2-yloxyacetamide
CID 112601737
prop-2-enyl N-(4-acetamidobutyl)carbamate
CID 54178304
N-(5-formamidopentyl)-2-propan-2-yloxyacetamide
CID 155740899
prop-2-enyl N-[3-[(2-bromoacetyl)amino]propyl]carbamate
CID 140660586
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413
N-[8-(methylamino)octyl]-2-propan-2-yloxyacetamide
CID 154671213
2-propan-2-yloxy-N-prop-2-enylacetamide
CID 112686662
N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide
CID 166733071
N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide
CID 157048781
prop-2-enyl N-[4-[(2-cyanoacetyl)amino]butyl]carbamate
CID 54267162
prop-2-enyl N-[12-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-12-oxododecyl]carbamate
CID 11634440
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide
CID 166845915

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate?
The IUPAC name of prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate (CID 89280805) is prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate?
The canonical SMILES for prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate is C=CCOC(=O)NCCCCNC(=O)COC(C)C.
What is the InChIKey of prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate?
The InChIKey is PVQBISMSCXOLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-9-18-13(17)15-8-6-5-7-14-12(16)10-19-11(2)3/h4,11H,1,5-10H2,2-3H3,(H,14,16)(H,15,17).
What are the key properties of prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate?
prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate has a molecular weight of 272.34 g/mol, XLogP of 1.22, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate is sourced from PubChem (CID 89280805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).