2-methyl-2-(prop-2-enoylamino)tetradecanoic acid

C18H33NO3 — CID 175553153

IUPAC2-methyl-2-(prop-2-enoylamino)tetradecanoic acid
SMILESC=CC(=O)NC(C)(CCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C18H33NO3/c1-4-6-7-8-9-10-11-12-13-14-15-18(3,17(21)22)19-16(20)5-2/h5H,2,4,6-15H2,1,3H3,(H,19,20)(H,21,22)
InChIKeyUCDOBORVRMFENI-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.44
Rot. Bonds14

About 2-methyl-2-(prop-2-enoylamino)tetradecanoic acid

2-methyl-2-(prop-2-enoylamino)tetradecanoic acid (PubChem CID 175553153) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-methyl-2-(prop-2-enoylamino)tetradecanoic acid.

Molecular Properties

Compound Name2-methyl-2-(prop-2-enoylamino)tetradecanoic acid
PubChem CID175553153
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name2-methyl-2-(prop-2-enoylamino)tetradecanoic acid
SMILESC=CC(=O)NC(C)(CCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C18H33NO3/c1-4-6-7-8-9-10-11-12-13-14-15-18(3,17(21)22)19-16(20)5-2/h5H,2,4,6-15H2,1,3H3,(H,19,20)(H,21,22)
InChIKeyUCDOBORVRMFENI-UHFFFAOYSA-N
XLogP4.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.44
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-methyl-2-(prop-2-enoylamino)pentacosanoic acid
CID 158599101
N-(2-hydroxytridecan-2-yl)prop-2-enamide
CID 141282485
2-methyl-2-(methylamino)pentadecanoic acid
CID 90221334
2-methyl-2-(methylamino)nonanoic acid
CID 43753674
(2R)-2-methyl-2-(3-oxododecanoylamino)decanoic acid
CID 162532296
(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 148575187
ethyl 2-(prop-2-enoylamino)hexadecane-2-sulfonate
CID 174751414
N-(2-butyl-2-methyloctyl)prop-2-enamide
CID 130271966
N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide
CID 134339729
sodium;ethyl 2-(prop-2-enoylamino)dodecane-2-sulfonate;hydride
CID 175299957
2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid
CID 151765471
2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid
CID 114994118

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(prop-2-enoylamino)tetradecanoic acid?
The IUPAC name of 2-methyl-2-(prop-2-enoylamino)tetradecanoic acid (CID 175553153) is 2-methyl-2-(prop-2-enoylamino)tetradecanoic acid.
What is the SMILES notation for 2-methyl-2-(prop-2-enoylamino)tetradecanoic acid?
The canonical SMILES for 2-methyl-2-(prop-2-enoylamino)tetradecanoic acid is C=CC(=O)NC(C)(CCCCCCCCCCCC)C(=O)O.
What is the InChIKey of 2-methyl-2-(prop-2-enoylamino)tetradecanoic acid?
The InChIKey is UCDOBORVRMFENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-4-6-7-8-9-10-11-12-13-14-15-18(3,17(21)22)19-16(20)5-2/h5H,2,4,6-15H2,1,3H3,(H,19,20)(H,21,22).
What are the key properties of 2-methyl-2-(prop-2-enoylamino)tetradecanoic acid?
2-methyl-2-(prop-2-enoylamino)tetradecanoic acid has a molecular weight of 311.47 g/mol, XLogP of 4.44, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(prop-2-enoylamino)tetradecanoic acid is sourced from PubChem (CID 175553153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).