2-aminoethyl 2-methylprop-2-enoate;hepta-2,5-dienediamide;N-propan-2-ylprop-2-enamide

C19H32N4O5 — CID 86615607

IUPAC2-aminoethyl 2-methylprop-2-enoate;hepta-2,5-dienediamide;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)OCCN.C=CC(=O)NC(C)C.NC(=O)C=CCC=CC(N)=O
InChIInChI=1S/C7H10N2O2.C6H11NO2.C6H11NO/c8-6(10)4-2-1-3-5-7(9)11;1-5(2)6(8)9-4-3-7;1-4-6(8)7-5(2)3/h2-5H,1H2,(H2,8,10)(H2,9,11);1,3-4,7H2,2H3;4-5H,1H2,2-3H3,(H,7,8)
InChIKeyKGVULBZTZPKBFS-UHFFFAOYSA-N
MW396.49 g/mol
LogP0.22
Rot. Bonds9

About 2-aminoethyl 2-methylprop-2-enoate;hepta-2,5-dienediamide;N-propan-2-ylprop-2-enamide

2-aminoethyl 2-methylprop-2-enoate;hepta-2,5-dienediamide;N-propan-2-ylprop-2-enamide (PubChem CID 86615607) has the molecular formula C19H32N4O5 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-aminoethyl 2-methylprop-2-enoate;hepta-2,5-dienediamide;N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-aminoethyl 2-methylprop-2-enoate;hepta-2,5-dienediamide;N-propan-2-ylprop-2-enamide
PubChem CID86615607
Molecular FormulaC19H32N4O5
Molecular Weight396.49 g/mol
Exact Mass396.24
IUPAC Name2-aminoethyl 2-methylprop-2-enoate;hepta-2,5-dienediamide;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)OCCN.C=CC(=O)NC(C)C.NC(=O)C=CCC=CC(N)=O
InChIInChI=1S/C7H10N2O2.C6H11NO2.C6H11NO/c8-6(10)4-2-1-3-5-7(9)11;1-5(2)6(8)9-4-3-7;1-4-6(8)7-5(2)3/h2-5H,1H2,(H2,8,10)(H2,9,11);1,3-4,7H2,2H3;4-5H,1H2,2-3H3,(H,7,8)
InChIKeyKGVULBZTZPKBFS-UHFFFAOYSA-N
XLogP0.22
TPSA167.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 155355138
2-aminoethyl 2-methylprop-2-enoate;methane
CID 158487497
2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
CID 135283326
(E)-4-(dimethylamino)-N-propan-2-ylbut-2-enamide;2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide
CID 163774916
sodium N-propan-2-ylprop-2-enamide
CID 19004870
2-aminoethyl 2-methylprop-2-enoate;phosphoric acid
CID 86256248
4-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-(2-prop-2-enoyloxyethyl) (E)-but-2-enedioate
CID 178063715
hepta-2,5-dienediamide;N-(hydroxymethyl)prop-2-enamide
CID 163671957
hepta-2,5-dienediamide;prop-2-enoic acid
CID 159289765
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
2-(2-methylprop-2-enoyloxy)ethanesulfonic acid;1-(prop-2-enoylamino)butane-1-sulfonic acid
CID 87135022
acetamide;hepta-2,5-dienediamide
CID 174662620

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-methylprop-2-enoate;hepta-2,5-dienediamide;N-propan-2-ylprop-2-enamide?
The IUPAC name of 2-aminoethyl 2-methylprop-2-enoate;hepta-2,5-dienediamide;N-propan-2-ylprop-2-enamide (CID 86615607) is 2-aminoethyl 2-methylprop-2-enoate;hepta-2,5-dienediamide;N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 2-aminoethyl 2-methylprop-2-enoate;hepta-2,5-dienediamide;N-propan-2-ylprop-2-enamide?
The canonical SMILES for 2-aminoethyl 2-methylprop-2-enoate;hepta-2,5-dienediamide;N-propan-2-ylprop-2-enamide is C=C(C)C(=O)OCCN.C=CC(=O)NC(C)C.NC(=O)C=CCC=CC(N)=O.
What is the InChIKey of 2-aminoethyl 2-methylprop-2-enoate;hepta-2,5-dienediamide;N-propan-2-ylprop-2-enamide?
The InChIKey is KGVULBZTZPKBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.C6H11NO2.C6H11NO/c8-6(10)4-2-1-3-5-7(9)11;1-5(2)6(8)9-4-3-7;1-4-6(8)7-5(2)3/h2-5H,1H2,(H2,8,10)(H2,9,11);1,3-4,7H2,2H3;4-5H,1H2,2-3H3,(H,7,8).
What are the key properties of 2-aminoethyl 2-methylprop-2-enoate;hepta-2,5-dienediamide;N-propan-2-ylprop-2-enamide?
2-aminoethyl 2-methylprop-2-enoate;hepta-2,5-dienediamide;N-propan-2-ylprop-2-enamide has a molecular weight of 396.49 g/mol, XLogP of 0.22, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-methylprop-2-enoate;hepta-2,5-dienediamide;N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 86615607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).