N-(1-methoxyethyl)-N-propylprop-2-enamide

C9H17NO2 — CID 18185929

IUPACN-(1-methoxyethyl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)C(C)OC
InChIInChI=1S/C9H17NO2/c1-5-7-10(8(3)12-4)9(11)6-2/h6,8H,2,5,7H2,1,3-4H3
InChIKeyBTNCKLQPFZIWBH-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.40
Rot. Bonds5

About N-(1-methoxyethyl)-N-propylprop-2-enamide

N-(1-methoxyethyl)-N-propylprop-2-enamide (PubChem CID 18185929) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(1-methoxyethyl)-N-propylprop-2-enamide.

Molecular Properties

Compound NameN-(1-methoxyethyl)-N-propylprop-2-enamide
PubChem CID18185929
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(1-methoxyethyl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)C(C)OC
InChIInChI=1S/C9H17NO2/c1-5-7-10(8(3)12-4)9(11)6-2/h6,8H,2,5,7H2,1,3-4H3
InChIKeyBTNCKLQPFZIWBH-UHFFFAOYSA-N
XLogP1.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-(1-methoxyethyl)-N-propylprop-2-enamide?
The IUPAC name of N-(1-methoxyethyl)-N-propylprop-2-enamide (CID 18185929) is N-(1-methoxyethyl)-N-propylprop-2-enamide.
What is the SMILES notation for N-(1-methoxyethyl)-N-propylprop-2-enamide?
The canonical SMILES for N-(1-methoxyethyl)-N-propylprop-2-enamide is C=CC(=O)N(CCC)C(C)OC.
What is the InChIKey of N-(1-methoxyethyl)-N-propylprop-2-enamide?
The InChIKey is BTNCKLQPFZIWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-7-10(8(3)12-4)9(11)6-2/h6,8H,2,5,7H2,1,3-4H3.
What are the key properties of N-(1-methoxyethyl)-N-propylprop-2-enamide?
N-(1-methoxyethyl)-N-propylprop-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyethyl)-N-propylprop-2-enamide is sourced from PubChem (CID 18185929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).