N-methyl-N-[(6R)-6-[3-[methyl(prop-2-enoyl)amino]propyl]-8-oxodec-9-enyl]prop-2-enamide

C21H34N2O3 — CID 126538691

IUPACN-methyl-N-[(6R)-6-[3-[methyl(prop-2-enoyl)amino]propyl]-8-oxodec-9-enyl]prop-2-enamide
SMILESC=CC(=O)C[C@H](CCCCCN(C)C(=O)C=C)CCCN(C)C(=O)C=C
InChIInChI=1S/C21H34N2O3/c1-6-19(24)17-18(14-12-16-23(5)21(26)8-3)13-10-9-11-15-22(4)20(25)7-2/h6-8,18H,1-3,9-17H2,4-5H3/t18-/m1/s1
InChIKeyFCJBGBLQXGMPQV-GOSISDBHSA-N
MW362.51 g/mol
LogP3.38
Rot. Bonds15

About N-methyl-N-[(6R)-6-[3-[methyl(prop-2-enoyl)amino]propyl]-8-oxodec-9-enyl]prop-2-enamide

N-methyl-N-[(6R)-6-[3-[methyl(prop-2-enoyl)amino]propyl]-8-oxodec-9-enyl]prop-2-enamide (PubChem CID 126538691) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is N-methyl-N-[(6R)-6-[3-[methyl(prop-2-enoyl)amino]propyl]-8-oxodec-9-enyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[(6R)-6-[3-[methyl(prop-2-enoyl)amino]propyl]-8-oxodec-9-enyl]prop-2-enamide
PubChem CID126538691
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC NameN-methyl-N-[(6R)-6-[3-[methyl(prop-2-enoyl)amino]propyl]-8-oxodec-9-enyl]prop-2-enamide
SMILESC=CC(=O)C[C@H](CCCCCN(C)C(=O)C=C)CCCN(C)C(=O)C=C
InChIInChI=1S/C21H34N2O3/c1-6-19(24)17-18(14-12-16-23(5)21(26)8-3)13-10-9-11-15-22(4)20(25)7-2/h6-8,18H,1-3,9-17H2,4-5H3/t18-/m1/s1
InChIKeyFCJBGBLQXGMPQV-GOSISDBHSA-N
XLogP3.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-N-[(6R)-6-[3-[methyl(prop-2-enoyl)amino]propyl]-8-oxodec-9-enyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[(6R)-6-[3-[methyl(prop-2-enoyl)amino]propyl]-8-oxodec-9-enyl]prop-2-enamide (CID 126538691) is N-methyl-N-[(6R)-6-[3-[methyl(prop-2-enoyl)amino]propyl]-8-oxodec-9-enyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[(6R)-6-[3-[methyl(prop-2-enoyl)amino]propyl]-8-oxodec-9-enyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[(6R)-6-[3-[methyl(prop-2-enoyl)amino]propyl]-8-oxodec-9-enyl]prop-2-enamide is C=CC(=O)C[C@H](CCCCCN(C)C(=O)C=C)CCCN(C)C(=O)C=C.
What is the InChIKey of N-methyl-N-[(6R)-6-[3-[methyl(prop-2-enoyl)amino]propyl]-8-oxodec-9-enyl]prop-2-enamide?
The InChIKey is FCJBGBLQXGMPQV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-6-19(24)17-18(14-12-16-23(5)21(26)8-3)13-10-9-11-15-22(4)20(25)7-2/h6-8,18H,1-3,9-17H2,4-5H3/t18-/m1/s1.
What are the key properties of N-methyl-N-[(6R)-6-[3-[methyl(prop-2-enoyl)amino]propyl]-8-oxodec-9-enyl]prop-2-enamide?
N-methyl-N-[(6R)-6-[3-[methyl(prop-2-enoyl)amino]propyl]-8-oxodec-9-enyl]prop-2-enamide has a molecular weight of 362.51 g/mol, XLogP of 3.38, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(6R)-6-[3-[methyl(prop-2-enoyl)amino]propyl]-8-oxodec-9-enyl]prop-2-enamide is sourced from PubChem (CID 126538691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).