N-[2-(prop-2-enoylamino)ethyl]propanamide

C8H14N2O2 — CID 20653723

IUPACN-[2-(prop-2-enoylamino)ethyl]propanamide
SMILESC=CC(=O)NCCNC(=O)CC
InChIInChI=1S/C8H14N2O2/c1-3-7(11)9-5-6-10-8(12)4-2/h3H,1,4-6H2,2H3,(H,9,11)(H,10,12)
InChIKeyUNHKRMWMKKCJOD-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.19
Rot. Bonds5

About N-[2-(prop-2-enoylamino)ethyl]propanamide

N-[2-(prop-2-enoylamino)ethyl]propanamide (PubChem CID 20653723) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-[2-(prop-2-enoylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(prop-2-enoylamino)ethyl]propanamide
PubChem CID20653723
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-[2-(prop-2-enoylamino)ethyl]propanamide
SMILESC=CC(=O)NCCNC(=O)CC
InChIInChI=1S/C8H14N2O2/c1-3-7(11)9-5-6-10-8(12)4-2/h3H,1,4-6H2,2H3,(H,9,11)(H,10,12)
InChIKeyUNHKRMWMKKCJOD-UHFFFAOYSA-N
XLogP-0.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-[2-(prop-2-enoylamino)ethyl]propanamide?
The IUPAC name of N-[2-(prop-2-enoylamino)ethyl]propanamide (CID 20653723) is N-[2-(prop-2-enoylamino)ethyl]propanamide.
What is the SMILES notation for N-[2-(prop-2-enoylamino)ethyl]propanamide?
The canonical SMILES for N-[2-(prop-2-enoylamino)ethyl]propanamide is C=CC(=O)NCCNC(=O)CC.
What is the InChIKey of N-[2-(prop-2-enoylamino)ethyl]propanamide?
The InChIKey is UNHKRMWMKKCJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-7(11)9-5-6-10-8(12)4-2/h3H,1,4-6H2,2H3,(H,9,11)(H,10,12).
What are the key properties of N-[2-(prop-2-enoylamino)ethyl]propanamide?
N-[2-(prop-2-enoylamino)ethyl]propanamide has a molecular weight of 170.21 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(prop-2-enoylamino)ethyl]propanamide is sourced from PubChem (CID 20653723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).