N,N-bis(11-methyldodecyl)prop-2-enamide

C29H57NO — CID 14475775

IUPACN,N-bis(11-methyldodecyl)prop-2-enamide
SMILESC=CC(=O)N(CCCCCCCCCCC(C)C)CCCCCCCCCCC(C)C
InChIInChI=1S/C29H57NO/c1-6-29(31)30(25-21-17-13-9-7-11-15-19-23-27(2)3)26-22-18-14-10-8-12-16-20-24-28(4)5/h6,27-28H,1,7-26H2,2-5H3
InChIKeySMZHZMOPMSJNAZ-UHFFFAOYSA-N
MW435.78 g/mol
LogP9.33
Rot. Bonds23

About N,N-bis(11-methyldodecyl)prop-2-enamide

N,N-bis(11-methyldodecyl)prop-2-enamide (PubChem CID 14475775) has the molecular formula C29H57NO and a molecular weight of 435.78 g/mol. Its IUPAC name is N,N-bis(11-methyldodecyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(11-methyldodecyl)prop-2-enamide
PubChem CID14475775
Molecular FormulaC29H57NO
Molecular Weight435.78 g/mol
Exact Mass435.44
IUPAC NameN,N-bis(11-methyldodecyl)prop-2-enamide
SMILESC=CC(=O)N(CCCCCCCCCCC(C)C)CCCCCCCCCCC(C)C
InChIInChI=1S/C29H57NO/c1-6-29(31)30(25-21-17-13-9-7-11-15-19-23-27(2)3)26-22-18-14-10-8-12-16-20-24-28(4)5/h6,27-28H,1,7-26H2,2-5H3
InChIKeySMZHZMOPMSJNAZ-UHFFFAOYSA-N
XLogP9.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.78
LogP ≤ 59.33
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(11-methyldodecyl)prop-2-enamide?
The IUPAC name of N,N-bis(11-methyldodecyl)prop-2-enamide (CID 14475775) is N,N-bis(11-methyldodecyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(11-methyldodecyl)prop-2-enamide?
The canonical SMILES for N,N-bis(11-methyldodecyl)prop-2-enamide is C=CC(=O)N(CCCCCCCCCCC(C)C)CCCCCCCCCCC(C)C.
What is the InChIKey of N,N-bis(11-methyldodecyl)prop-2-enamide?
The InChIKey is SMZHZMOPMSJNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H57NO/c1-6-29(31)30(25-21-17-13-9-7-11-15-19-23-27(2)3)26-22-18-14-10-8-12-16-20-24-28(4)5/h6,27-28H,1,7-26H2,2-5H3.
What are the key properties of N,N-bis(11-methyldodecyl)prop-2-enamide?
N,N-bis(11-methyldodecyl)prop-2-enamide has a molecular weight of 435.78 g/mol, XLogP of 9.33, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(11-methyldodecyl)prop-2-enamide is sourced from PubChem (CID 14475775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).