3-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide

C10H17ClN2O2 — CID 43146375

IUPAC3-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide
SMILESC=C(C)CN(CC)C(=O)NC(=O)CCCl
InChIInChI=1S/C10H17ClN2O2/c1-4-13(7-8(2)3)10(15)12-9(14)5-6-11/h2,4-7H2,1,3H3,(H,12,14,15)
InChIKeyPUBOUKYYZDNSOY-UHFFFAOYSA-N
MW232.71 g/mol
LogP1.75
Rot. Bonds5

About 3-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide

3-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide (PubChem CID 43146375) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 3-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide
PubChem CID43146375
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name3-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide
SMILESC=C(C)CN(CC)C(=O)NC(=O)CCCl
InChIInChI=1S/C10H17ClN2O2/c1-4-13(7-8(2)3)10(15)12-9(14)5-6-11/h2,4-7H2,1,3H3,(H,12,14,15)
InChIKeyPUBOUKYYZDNSOY-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide (CID 43146375) is 3-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide is C=C(C)CN(CC)C(=O)NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide?
The InChIKey is PUBOUKYYZDNSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-4-13(7-8(2)3)10(15)12-9(14)5-6-11/h2,4-7H2,1,3H3,(H,12,14,15).
What are the key properties of 3-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide?
3-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide has a molecular weight of 232.71 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[ethyl(2-methylprop-2-enyl)carbamoyl]propanamide is sourced from PubChem (CID 43146375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).