2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide

C30H45N3O5 — CID 160771309

IUPAC2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)CCCN(CCN(CCN(CCCC(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C
InChIInChI=1S/C30H45N3O5/c1-21(2)26(34)13-11-15-31(28(36)23(5)6)17-19-33(30(38)25(9)10)20-18-32(29(37)24(7)8)16-12-14-27(35)22(3)4/h1,3,5,7,9,11-20H2,2,4,6,8,10H3
InChIKeyIVGYLUJCAPCSSC-UHFFFAOYSA-N
MW527.71 g/mol
LogP4.05
Rot. Bonds19

About 2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide

2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide (PubChem CID 160771309) has the molecular formula C30H45N3O5 and a molecular weight of 527.71 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide
PubChem CID160771309
Molecular FormulaC30H45N3O5
Molecular Weight527.71 g/mol
Exact Mass527.34
IUPAC Name2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)CCCN(CCN(CCN(CCCC(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C
InChIInChI=1S/C30H45N3O5/c1-21(2)26(34)13-11-15-31(28(36)23(5)6)17-19-33(30(38)25(9)10)20-18-32(29(37)24(7)8)16-12-14-27(35)22(3)4/h1,3,5,7,9,11-20H2,2,4,6,8,10H3
InChIKeyIVGYLUJCAPCSSC-UHFFFAOYSA-N
XLogP4.05
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.71
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Hexanediamide, N,N,N',N'-tetraethyl-2,5-bis(methylene)-
CID 587699
N-[2-[hexanoyl(2-methylprop-2-enoyl)amino]ethyl]-N-(2-methylprop-2-enoyl)hexanamide
CID 87828057
N,N-bis(4-oxohex-5-enyl)prop-2-enamide;N-ethyl-N-(5-oxohept-6-enyl)prop-2-enamide
CID 158335464
N,2-dimethyl-N-prop-2-enylprop-2-enamide;N-methyl-2-methylidene-4-oxo-N-prop-2-enylpentanamide;N-methyl-N-prop-2-enylprop-2-enamide;N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 158350948
N-[2-[tert-butyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide
CID 157058333
2-methyl-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide
CID 157551943
N-[2-[2,2-dimethylpropyl-(5-methyl-4-oxohex-5-enyl)amino]ethyl]-2-methylprop-2-enamide
CID 159374595
N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide
CID 160332564
2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethylamino]ethyl]prop-2-enamide
CID 160332565
2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-propanoylamino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide
CID 160332567
2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide
CID 160771310
2-methyl-N,N-bis(6-methyl-5-oxohept-6-enyl)prop-2-enamide
CID 164988500

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide (CID 160771309) is 2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide is C=C(C)C(=O)CCCN(CCN(CCN(CCCC(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide?
The InChIKey is IVGYLUJCAPCSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3O5/c1-21(2)26(34)13-11-15-31(28(36)23(5)6)17-19-33(30(38)25(9)10)20-18-32(29(37)24(7)8)16-12-14-27(35)22(3)4/h1,3,5,7,9,11-20H2,2,4,6,8,10H3.
What are the key properties of 2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide?
2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide has a molecular weight of 527.71 g/mol, XLogP of 4.05, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 160771309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).