2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide

C12H22N2O2 — CID 59773657

IUPAC2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
SMILESC=C(C)C(=O)NCCCNC(=O)C(C)CC
InChIInChI=1S/C12H22N2O2/c1-5-10(4)12(16)14-8-6-7-13-11(15)9(2)3/h10H,2,5-8H2,1,3-4H3,(H,13,15)(H,14,16)
InChIKeyIZXFVQWVRWWEHO-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.23
Rot. Bonds7

About 2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide

2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide (PubChem CID 59773657) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
PubChem CID59773657
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
SMILESC=C(C)C(=O)NCCCNC(=O)C(C)CC
InChIInChI=1S/C12H22N2O2/c1-5-10(4)12(16)14-8-6-7-13-11(15)9(2)3/h10H,2,5-8H2,1,3-4H3,(H,13,15)(H,14,16)
InChIKeyIZXFVQWVRWWEHO-UHFFFAOYSA-N
XLogP1.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.23
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'}

Analyze 2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide
CID 166886440
N-icosyl-2-methylprop-2-enamide
CID 22336363
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
2-[3-(2-methylprop-2-enoylamino)propylamino]propanedioic acid
CID 87206701
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide
CID 87191392
2-methyl-N-(2-methylprop-2-enyl)butanamide
CID 114618817
N-(3-bromopropyl)-2-methylprop-2-enamide
CID 86134938
N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
CID 174789419
N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
CID 22292211
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide?
The IUPAC name of 2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide (CID 59773657) is 2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide.
What is the SMILES notation for 2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide?
The canonical SMILES for 2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide is C=C(C)C(=O)NCCCNC(=O)C(C)CC.
What is the InChIKey of 2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide?
The InChIKey is IZXFVQWVRWWEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-10(4)12(16)14-8-6-7-13-11(15)9(2)3/h10H,2,5-8H2,1,3-4H3,(H,13,15)(H,14,16).
What are the key properties of 2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide?
2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide has a molecular weight of 226.32 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide is sourced from PubChem (CID 59773657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).