N,N-bis(5-methylhexyl)prop-2-enamide

C17H33NO — CID 19792321

IUPACN,N-bis(5-methylhexyl)prop-2-enamide
SMILESC=CC(=O)N(CCCCC(C)C)CCCCC(C)C
InChIInChI=1S/C17H33NO/c1-6-17(19)18(13-9-7-11-15(2)3)14-10-8-12-16(4)5/h6,15-16H,1,7-14H2,2-5H3
InChIKeyLDOJRHARPMMZDC-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.65
Rot. Bonds11

About N,N-bis(5-methylhexyl)prop-2-enamide

N,N-bis(5-methylhexyl)prop-2-enamide (PubChem CID 19792321) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N,N-bis(5-methylhexyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(5-methylhexyl)prop-2-enamide
PubChem CID19792321
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN,N-bis(5-methylhexyl)prop-2-enamide
SMILESC=CC(=O)N(CCCCC(C)C)CCCCC(C)C
InChIInChI=1S/C17H33NO/c1-6-17(19)18(13-9-7-11-15(2)3)14-10-8-12-16(4)5/h6,15-16H,1,7-14H2,2-5H3
InChIKeyLDOJRHARPMMZDC-UHFFFAOYSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.65
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N-bis(5-methylhexyl)prop-2-enamide?
The IUPAC name of N,N-bis(5-methylhexyl)prop-2-enamide (CID 19792321) is N,N-bis(5-methylhexyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(5-methylhexyl)prop-2-enamide?
The canonical SMILES for N,N-bis(5-methylhexyl)prop-2-enamide is C=CC(=O)N(CCCCC(C)C)CCCCC(C)C.
What is the InChIKey of N,N-bis(5-methylhexyl)prop-2-enamide?
The InChIKey is LDOJRHARPMMZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-6-17(19)18(13-9-7-11-15(2)3)14-10-8-12-16(4)5/h6,15-16H,1,7-14H2,2-5H3.
What are the key properties of N,N-bis(5-methylhexyl)prop-2-enamide?
N,N-bis(5-methylhexyl)prop-2-enamide has a molecular weight of 267.46 g/mol, XLogP of 4.65, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(5-methylhexyl)prop-2-enamide is sourced from PubChem (CID 19792321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).