N-tetradecan-3-ylprop-2-enamide

C17H33NO — CID 54185556

IUPACN-tetradecan-3-ylprop-2-enamide
SMILESC=CC(=O)NC(CC)CCCCCCCCCCC
InChIInChI=1S/C17H33NO/c1-4-7-8-9-10-11-12-13-14-15-16(5-2)18-17(19)6-3/h6,16H,3-5,7-15H2,1-2H3,(H,18,19)
InChIKeyPEVMYNYOOGARMU-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.99
Rot. Bonds13

About N-tetradecan-3-ylprop-2-enamide

N-tetradecan-3-ylprop-2-enamide (PubChem CID 54185556) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-tetradecan-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-tetradecan-3-ylprop-2-enamide
PubChem CID54185556
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-tetradecan-3-ylprop-2-enamide
SMILESC=CC(=O)NC(CC)CCCCCCCCCCC
InChIInChI=1S/C17H33NO/c1-4-7-8-9-10-11-12-13-14-15-16(5-2)18-17(19)6-3/h6,16H,3-5,7-15H2,1-2H3,(H,18,19)
InChIKeyPEVMYNYOOGARMU-UHFFFAOYSA-N
XLogP4.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-tridecan-5-ylprop-2-enamide
CID 141277245
9-(prop-2-enoylamino)octadecanoic acid
CID 88669538
trimethyl-[3-(prop-2-enoylamino)pentadecyl]azanium
CID 141026004
2-(prop-2-enoylamino)undecane-1-sulfonic acid
CID 156701088
N-(6-aminohexan-3-yl)prop-2-enamide
CID 90258074
sodium 2-(prop-2-enoylamino)decane-1-sulfonate
CID 141391834
sulfane;N-tetradecan-2-ylprop-2-enamide
CID 161423391
CID 172681063
CID 172681063
potassium N-tetradecan-2-ylprop-2-enamide
CID 150704180
disodium;2-(prop-2-enoylamino)tetradecyl phosphate
CID 141476549
N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide
CID 89197910
triethyl-[3-(prop-2-enoylamino)pentyl]azanium
CID 87943670

Frequently Asked Questions

What is the IUPAC name of N-tetradecan-3-ylprop-2-enamide?
The IUPAC name of N-tetradecan-3-ylprop-2-enamide (CID 54185556) is N-tetradecan-3-ylprop-2-enamide.
What is the SMILES notation for N-tetradecan-3-ylprop-2-enamide?
The canonical SMILES for N-tetradecan-3-ylprop-2-enamide is C=CC(=O)NC(CC)CCCCCCCCCCC.
What is the InChIKey of N-tetradecan-3-ylprop-2-enamide?
The InChIKey is PEVMYNYOOGARMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-7-8-9-10-11-12-13-14-15-16(5-2)18-17(19)6-3/h6,16H,3-5,7-15H2,1-2H3,(H,18,19).
What are the key properties of N-tetradecan-3-ylprop-2-enamide?
N-tetradecan-3-ylprop-2-enamide has a molecular weight of 267.46 g/mol, XLogP of 4.99, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tetradecan-3-ylprop-2-enamide is sourced from PubChem (CID 54185556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).