2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide

C20H36N2O2 — CID 175297760

IUPAC2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide
SMILESC=C(C)C(=O)NC(CCC)CCCCC(CCC)NC(=O)C(=C)C
InChIInChI=1S/C20H36N2O2/c1-7-11-17(21-19(23)15(3)4)13-9-10-14-18(12-8-2)22-20(24)16(5)6/h17-18H,3,5,7-14H2,1-2,4,6H3,(H,21,23)(H,22,24)
InChIKeyIHDXLORTEGWHPU-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.27
Rot. Bonds13

About 2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide

2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide (PubChem CID 175297760) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide
PubChem CID175297760
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide
SMILESC=C(C)C(=O)NC(CCC)CCCCC(CCC)NC(=O)C(=C)C
InChIInChI=1S/C20H36N2O2/c1-7-11-17(21-19(23)15(3)4)13-9-10-14-18(12-8-2)22-20(24)16(5)6/h17-18H,3,5,7-14H2,1-2,4,6H3,(H,21,23)(H,22,24)
InChIKeyIHDXLORTEGWHPU-UHFFFAOYSA-N
XLogP4.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-2-enoylamino)decane-1-sulfonic acid
CID 87948398
2-methyl-N-octan-2-ylprop-2-enamide
CID 54184108
2-methyl-N-tetradecan-2-ylprop-2-enamide
CID 91551786
N-pentadecan-4-ylacetamide
CID 87419548
(2R)-2-(2-methylprop-2-enoylamino)pentanoic acid
CID 102242630
N-(dibutoxymethyl)-2-methylprop-2-enamide
CID 91873110
2-methyl-N-[3-(oxomethylidene)henicosan-4-yl]prop-2-enamide
CID 123399533
N-prop-1-en-2-ylnonan-5-amine
CID 166689261
2,3-dimethyl-4-(octan-4-ylcarbamoylamino)-4-oxobut-2-enoic acid
CID 106019806
N-(14-methyl-8,13-dimethylidene-9-propylpentadec-14-en-4-yl)acetamide
CID 155036913
ethyl-dimethyl-[3-(2-methylprop-2-enoylamino)pentyl]azanium
CID 87943234
[(4S)-1-hydroxyheptan-4-yl]carbamic acid
CID 87839547

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide (CID 175297760) is 2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide is C=C(C)C(=O)NC(CCC)CCCCC(CCC)NC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide?
The InChIKey is IHDXLORTEGWHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-7-11-17(21-19(23)15(3)4)13-9-10-14-18(12-8-2)22-20(24)16(5)6/h17-18H,3,5,7-14H2,1-2,4,6H3,(H,21,23)(H,22,24).
What are the key properties of 2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide?
2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide has a molecular weight of 336.52 g/mol, XLogP of 4.27, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide is sourced from PubChem (CID 175297760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).