2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide

C15H27N3O2 — CID 89088591

IUPAC2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC(CNC(=O)C(=C)C)CNC(C)C
InChIInChI=1S/C15H27N3O2/c1-10(2)14(19)17-8-13(7-16-12(5)6)9-18-15(20)11(3)4/h12-13,16H,1,3,7-9H2,2,4-6H3,(H,17,19)(H,18,20)
InChIKeyQYRPOWFSKOTMBA-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.99
Rot. Bonds9

About 2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide

2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide (PubChem CID 89088591) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide
PubChem CID89088591
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC(CNC(=O)C(=C)C)CNC(C)C
InChIInChI=1S/C15H27N3O2/c1-10(2)14(19)17-8-13(7-16-12(5)6)9-18-15(20)11(3)4/h12-13,16H,1,3,7-9H2,2,4-6H3,(H,17,19)(H,18,20)
InChIKeyQYRPOWFSKOTMBA-UHFFFAOYSA-N
XLogP0.99
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide with MolForge

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Related Compounds

N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 159380399
hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 87755917
trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium
CID 87943190
2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
CID 129238388
2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide
CID 174986038
ethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide
CID 174986037
1-hydroxy-2-(2-methylprop-2-enoylamino)ethanesulfonic acid
CID 54533259
[2-methyl-3-(2-methylprop-2-enoylamino)propyl] methanesulfonate
CID 87327562
potassium 2-methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate
CID 138705740
N-(2-amino-2-methylsulfonylethyl)-2-methylprop-2-enamide
CID 174440551
N-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl]-2-methylprop-2-enamide
CID 175714960
N-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide
CID 2785305

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide (CID 89088591) is 2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide is C=C(C)C(=O)NCC(CNC(=O)C(=C)C)CNC(C)C.
What is the InChIKey of 2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide?
The InChIKey is QYRPOWFSKOTMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10(2)14(19)17-8-13(7-16-12(5)6)9-18-15(20)11(3)4/h12-13,16H,1,3,7-9H2,2,4-6H3,(H,17,19)(H,18,20).
What are the key properties of 2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide?
2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide has a molecular weight of 281.40 g/mol, XLogP of 0.99, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide is sourced from PubChem (CID 89088591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).