prop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]carbamate

C10H18N2O4 — CID 108574174

IUPACprop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)CCOC
InChIInChI=1S/C10H18N2O4/c1-3-7-16-10(14)12-6-5-11-9(13)4-8-15-2/h3H,1,4-8H2,2H3,(H,11,13)(H,12,14)
InChIKeyGLLFKGMGEAOPQJ-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.05
Rot. Bonds8

About prop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]carbamate

prop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]carbamate (PubChem CID 108574174) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is prop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]carbamate
PubChem CID108574174
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameprop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)CCOC
InChIInChI=1S/C10H18N2O4/c1-3-7-16-10(14)12-6-5-11-9(13)4-8-15-2/h3H,1,4-8H2,2H3,(H,11,13)(H,12,14)
InChIKeyGLLFKGMGEAOPQJ-UHFFFAOYSA-N
XLogP0.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.05
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'}

Analyze prop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]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

prop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate
CID 108573558
prop-2-enyl N-[12-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-12-oxododecyl]carbamate
CID 11634440
methane;3-methoxy-N-(3-oxopropyl)propanamide
CID 160698197
2-methoxyethyl N-[2-(2-methoxyethoxycarbonylamino)ethyl]carbamate
CID 118910846
prop-2-enyl N-[3-[(2-bromoacetyl)amino]propyl]carbamate
CID 140660586
N-[2-(ethylamino)ethyl]-3-methoxypropanamide
CID 62658774
prop-2-enyl N-(3-trimethoxysilylpropyl)carbamate
CID 18672768
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid
CID 167723316
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide
CID 108574166
prop-2-enyl N-(4-acetamidobutyl)carbamate
CID 54178304
N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide
CID 108538534

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]carbamate (CID 108574174) is prop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]carbamate is C=CCOC(=O)NCCNC(=O)CCOC.
What is the InChIKey of prop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]carbamate?
The InChIKey is GLLFKGMGEAOPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-7-16-10(14)12-6-5-11-9(13)4-8-15-2/h3H,1,4-8H2,2H3,(H,11,13)(H,12,14).
What are the key properties of prop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]carbamate?
prop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]carbamate has a molecular weight of 230.26 g/mol, XLogP of 0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]carbamate is sourced from PubChem (CID 108574174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).