N,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide

C18H32N2O4 — CID 21285723

IUPACN,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide
SMILESC=C(C)C(=O)N(C)CCCOC(C)OCCCN(C)C(=O)C(=C)C
InChIInChI=1S/C18H32N2O4/c1-14(2)17(21)19(6)10-8-12-23-16(5)24-13-9-11-20(7)18(22)15(3)4/h16H,1,3,8-13H2,2,4-7H3
InChIKeyWAGLNVZPZCSSSZ-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.21
Rot. Bonds12

About N,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide

N,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide (PubChem CID 21285723) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is N,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide
PubChem CID21285723
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC NameN,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide
SMILESC=C(C)C(=O)N(C)CCCOC(C)OCCCN(C)C(=O)C(=C)C
InChIInChI=1S/C18H32N2O4/c1-14(2)17(21)19(6)10-8-12-23-16(5)24-13-9-11-20(7)18(22)15(3)4/h16H,1,3,8-13H2,2,4-7H3
InChIKeyWAGLNVZPZCSSSZ-UHFFFAOYSA-N
XLogP2.21
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide with MolForge

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Related Compounds

N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide
CID 138739134
N-[3-[diethoxy(methyl)silyl]propyl]-N,2-dimethylprop-2-enamide
CID 139724660
N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 23525820
N-(iodomethyl)-N,2-dimethylprop-2-enamide
CID 146497620
3-(1-silyloxyethoxy)propyl 2-methylprop-2-enoate
CID 173268591
1-[4-(1-acetyloxyethoxy)butoxy]ethyl acetate
CID 87519780
4-[3-methoxypropyl(methyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991887
N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide
CID 146260613
N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide
CID 58288610
N,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide
CID 134246359
N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 174975704

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide?
The IUPAC name of N,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide (CID 21285723) is N,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide.
What is the SMILES notation for N,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide?
The canonical SMILES for N,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide is C=C(C)C(=O)N(C)CCCOC(C)OCCCN(C)C(=O)C(=C)C.
What is the InChIKey of N,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide?
The InChIKey is WAGLNVZPZCSSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-14(2)17(21)19(6)10-8-12-23-16(5)24-13-9-11-20(7)18(22)15(3)4/h16H,1,3,8-13H2,2,4-7H3.
What are the key properties of N,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide?
N,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide has a molecular weight of 340.46 g/mol, XLogP of 2.21, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide is sourced from PubChem (CID 21285723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).