prop-2-enyl N-(4-acetamidobutyl)carbamate

C10H18N2O3 — CID 54178304

IUPACprop-2-enyl N-(4-acetamidobutyl)carbamate
SMILESC=CCOC(=O)NCCCCNC(C)=O
InChIInChI=1S/C10H18N2O3/c1-3-8-15-10(14)12-7-5-4-6-11-9(2)13/h3H,1,4-8H2,2H3,(H,11,13)(H,12,14)
InChIKeyVEKQPPBLBNGMLP-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.81
Rot. Bonds7

About prop-2-enyl N-(4-acetamidobutyl)carbamate

prop-2-enyl N-(4-acetamidobutyl)carbamate (PubChem CID 54178304) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is prop-2-enyl N-(4-acetamidobutyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(4-acetamidobutyl)carbamate
PubChem CID54178304
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameprop-2-enyl N-(4-acetamidobutyl)carbamate
SMILESC=CCOC(=O)NCCCCNC(C)=O
InChIInChI=1S/C10H18N2O3/c1-3-8-15-10(14)12-7-5-4-6-11-9(2)13/h3H,1,4-8H2,2H3,(H,11,13)(H,12,14)
InChIKeyVEKQPPBLBNGMLP-UHFFFAOYSA-N
XLogP0.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze prop-2-enyl N-(4-acetamidobutyl)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

S-[2-(prop-2-enoxycarbonylamino)ethyl] 3-acetamidopropanethioate
CID 134297811
N-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate
CID 158116077
6-(prop-2-enoxycarbonylamino)hexanoic acid
CID 60675511
prop-2-enyl N-(3-trimethoxysilylpropyl)carbamate
CID 18672768
prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate
CID 89280805
prop-2-enyl N-[3-[(2-bromoacetyl)amino]propyl]carbamate
CID 140660586
prop-2-enyl N-[6-[2-acetamidoethyl-[2-[[11-(methylamino)-11-oxoundecyl]amino]-2-oxoethyl]amino]-6-oxohexyl]carbamate
CID 59809069
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
nonyl 6-(prop-2-enoxycarbonylamino)hexanoate
CID 91739004
hexadecyl 6-(prop-2-enoxycarbonylamino)hexanoate
CID 91743644
N-(3-acetamidopropyl)acetamide
CID 5147555

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(4-acetamidobutyl)carbamate?
The IUPAC name of prop-2-enyl N-(4-acetamidobutyl)carbamate (CID 54178304) is prop-2-enyl N-(4-acetamidobutyl)carbamate.
What is the SMILES notation for prop-2-enyl N-(4-acetamidobutyl)carbamate?
The canonical SMILES for prop-2-enyl N-(4-acetamidobutyl)carbamate is C=CCOC(=O)NCCCCNC(C)=O.
What is the InChIKey of prop-2-enyl N-(4-acetamidobutyl)carbamate?
The InChIKey is VEKQPPBLBNGMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-8-15-10(14)12-7-5-4-6-11-9(2)13/h3H,1,4-8H2,2H3,(H,11,13)(H,12,14).
What are the key properties of prop-2-enyl N-(4-acetamidobutyl)carbamate?
prop-2-enyl N-(4-acetamidobutyl)carbamate has a molecular weight of 214.26 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(4-acetamidobutyl)carbamate is sourced from PubChem (CID 54178304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).