N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide

C9H16N2O2 — CID 106915065

IUPACN,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide
SMILESC=CC(=O)N(C)CC(C)C(=O)NC
InChIInChI=1S/C9H16N2O2/c1-5-8(12)11(4)6-7(2)9(13)10-3/h5,7H,1,6H2,2-4H3,(H,10,13)
InChIKeyNUXJGIHNWRHAMM-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.01
Rot. Bonds4

About N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide

N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide (PubChem CID 106915065) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide
PubChem CID106915065
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide
SMILESC=CC(=O)N(C)CC(C)C(=O)NC
InChIInChI=1S/C9H16N2O2/c1-5-8(12)11(4)6-7(2)9(13)10-3/h5,7H,1,6H2,2-4H3,(H,10,13)
InChIKeyNUXJGIHNWRHAMM-UHFFFAOYSA-N
XLogP0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.01
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 N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide?
The IUPAC name of N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide (CID 106915065) is N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide.
What is the SMILES notation for N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide?
The canonical SMILES for N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide is C=CC(=O)N(C)CC(C)C(=O)NC.
What is the InChIKey of N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide?
The InChIKey is NUXJGIHNWRHAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-5-8(12)11(4)6-7(2)9(13)10-3/h5,7H,1,6H2,2-4H3,(H,10,13).
What are the key properties of N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide?
N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide has a molecular weight of 184.24 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide is sourced from PubChem (CID 106915065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).