2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate

C9H16N2O3 — CID 143586646

IUPAC2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate
SMILESC=CC(=O)NCCOC(=O)NC(C)C
InChIInChI=1S/C9H16N2O3/c1-4-8(12)10-5-6-14-9(13)11-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,12)(H,11,13)
InChIKeyPKTADTIDSQHCQM-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.42
Rot. Bonds5

About 2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate

2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate (PubChem CID 143586646) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate
PubChem CID143586646
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate
SMILESC=CC(=O)NCCOC(=O)NC(C)C
InChIInChI=1S/C9H16N2O3/c1-4-8(12)10-5-6-14-9(13)11-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,12)(H,11,13)
InChIKeyPKTADTIDSQHCQM-UHFFFAOYSA-N
XLogP0.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate?
The IUPAC name of 2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate (CID 143586646) is 2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate.
What is the SMILES notation for 2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate?
The canonical SMILES for 2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate is C=CC(=O)NCCOC(=O)NC(C)C.
What is the InChIKey of 2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate?
The InChIKey is PKTADTIDSQHCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-8(12)10-5-6-14-9(13)11-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,12)(H,11,13).
What are the key properties of 2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate?
2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate has a molecular weight of 200.24 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate is sourced from PubChem (CID 143586646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).