N-tridecan-5-ylprop-2-enamide

C16H31NO — CID 141277245

IUPACN-tridecan-5-ylprop-2-enamide
SMILESC=CC(=O)NC(CCCC)CCCCCCCC
InChIInChI=1S/C16H31NO/c1-4-7-9-10-11-12-14-15(13-8-5-2)17-16(18)6-3/h6,15H,3-5,7-14H2,1-2H3,(H,17,18)
InChIKeyMMXSYBLTQVBFDJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.60
Rot. Bonds12

About N-tridecan-5-ylprop-2-enamide

N-tridecan-5-ylprop-2-enamide (PubChem CID 141277245) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-tridecan-5-ylprop-2-enamide.

Molecular Properties

Compound NameN-tridecan-5-ylprop-2-enamide
PubChem CID141277245
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-tridecan-5-ylprop-2-enamide
SMILESC=CC(=O)NC(CCCC)CCCCCCCC
InChIInChI=1S/C16H31NO/c1-4-7-9-10-11-12-14-15(13-8-5-2)17-16(18)6-3/h6,15H,3-5,7-14H2,1-2H3,(H,17,18)
InChIKeyMMXSYBLTQVBFDJ-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.60
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-tetradecan-3-ylprop-2-enamide
CID 54185556
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
potassium N-tetradecan-2-ylprop-2-enamide
CID 150704180
sodium 2-(prop-2-enoylamino)decane-1-sulfonate
CID 141391834
sulfane;N-tetradecan-2-ylprop-2-enamide
CID 161423391
CID 172681063
CID 172681063
disodium;2-(prop-2-enoylamino)tetradecyl phosphate
CID 141476549
N-(3-aminoicosan-2-yl)prop-2-enamide;hydrobromide
CID 175049953
tetracosan-7-ylcarbamic acid
CID 174971308
sodium 1-(prop-2-enoylamino)tetradecane-1-sulfonate
CID 141482595

Frequently Asked Questions

What is the IUPAC name of N-tridecan-5-ylprop-2-enamide?
The IUPAC name of N-tridecan-5-ylprop-2-enamide (CID 141277245) is N-tridecan-5-ylprop-2-enamide.
What is the SMILES notation for N-tridecan-5-ylprop-2-enamide?
The canonical SMILES for N-tridecan-5-ylprop-2-enamide is C=CC(=O)NC(CCCC)CCCCCCCC.
What is the InChIKey of N-tridecan-5-ylprop-2-enamide?
The InChIKey is MMXSYBLTQVBFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-7-9-10-11-12-14-15(13-8-5-2)17-16(18)6-3/h6,15H,3-5,7-14H2,1-2H3,(H,17,18).
What are the key properties of N-tridecan-5-ylprop-2-enamide?
N-tridecan-5-ylprop-2-enamide has a molecular weight of 253.43 g/mol, XLogP of 4.60, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tridecan-5-ylprop-2-enamide is sourced from PubChem (CID 141277245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).