4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide

C16H20N2O2 — CID 103597808

IUPAC4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide
SMILESCCN(C(=O)C=Cc1ccc(C(=O)NC)cc1)C1CC1
InChIInChI=1S/C16H20N2O2/c1-3-18(14-9-10-14)15(19)11-6-12-4-7-13(8-5-12)16(20)17-2/h4-8,11,14H,3,9-10H2,1-2H3,(H,17,20)
InChIKeyVENRQKFZJQPJGE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.07
Rot. Bonds5

About 4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide

4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide (PubChem CID 103597808) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide
PubChem CID103597808
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide
SMILESCCN(C(=O)C=Cc1ccc(C(=O)NC)cc1)C1CC1
InChIInChI=1S/C16H20N2O2/c1-3-18(14-9-10-14)15(19)11-6-12-4-7-13(8-5-12)16(20)17-2/h4-8,11,14H,3,9-10H2,1-2H3,(H,17,20)
InChIKeyVENRQKFZJQPJGE-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide?
The IUPAC name of 4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide (CID 103597808) is 4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide.
What is the SMILES notation for 4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide?
The canonical SMILES for 4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide is CCN(C(=O)C=Cc1ccc(C(=O)NC)cc1)C1CC1.
What is the InChIKey of 4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide?
The InChIKey is VENRQKFZJQPJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-18(14-9-10-14)15(19)11-6-12-4-7-13(8-5-12)16(20)17-2/h4-8,11,14H,3,9-10H2,1-2H3,(H,17,20).
What are the key properties of 4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide?
4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide has a molecular weight of 272.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide is sourced from PubChem (CID 103597808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).