N-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide

C14H24N2O2 — CID 123790075

IUPACN-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CCNC(C)(C)C(=O)C=C
InChIInChI=1S/C14H24N2O2/c1-7-11(17)14(5,6)15-10-9-13(3,4)16-12(18)8-2/h7-8,15H,1-2,9-10H2,3-6H3,(H,16,18)
InChIKeyGPHVVRLDKUFBGY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.58
Rot. Bonds8

About N-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide

N-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide (PubChem CID 123790075) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide
PubChem CID123790075
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CCNC(C)(C)C(=O)C=C
InChIInChI=1S/C14H24N2O2/c1-7-11(17)14(5,6)15-10-9-13(3,4)16-12(18)8-2/h7-8,15H,1-2,9-10H2,3-6H3,(H,16,18)
InChIKeyGPHVVRLDKUFBGY-UHFFFAOYSA-N
XLogP1.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide with MolForge

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Related Compounds

4-(ethylamino)-4-methylpent-1-en-3-one
CID 116566077
[4-methyl-4-(prop-2-enoylamino)pentyl]phosphonic acid
CID 87404848
[2-methyl-2-(prop-2-enoylamino)propyl]boronic acid
CID 150077242
CID 174301773
CID 174301773
lithium 3-methyl-3-(prop-2-enoylamino)butanoate
CID 175226947
N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide
CID 7241619
[2-hydroxy-4-methyl-4-(prop-2-enoylamino)pentan-2-yl]phosphonic acid
CID 88935164
N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide
CID 166835322
trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride
CID 11775668
N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
CID 21274347
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;dihydrate
CID 141386572
alumane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 173293073

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide?
The IUPAC name of N-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide (CID 123790075) is N-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide?
The canonical SMILES for N-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide is C=CC(=O)NC(C)(C)CCNC(C)(C)C(=O)C=C.
What is the InChIKey of N-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide?
The InChIKey is GPHVVRLDKUFBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-7-11(17)14(5,6)15-10-9-13(3,4)16-12(18)8-2/h7-8,15H,1-2,9-10H2,3-6H3,(H,16,18).
What are the key properties of N-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide?
N-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide has a molecular weight of 252.36 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide is sourced from PubChem (CID 123790075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).