(E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide

C17H23Cl2NO — CID 6026974

IUPAC(E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
SMILESCC(C)CN(CC(C)C)C(=O)/C=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C17H23Cl2NO/c1-12(2)10-20(11-13(3)4)17(21)9-8-14-15(18)6-5-7-16(14)19/h5-9,12-13H,10-11H2,1-4H3/b9-8+
InChIKeySMDXZQNVZFXQDS-CMDGGOBGSA-N
MW328.28 g/mol
LogP5.15
Rot. Bonds6

About (E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide

(E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide (PubChem CID 6026974) has the molecular formula C17H23Cl2NO and a molecular weight of 328.28 g/mol. Its IUPAC name is (E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
PubChem CID6026974
Molecular FormulaC17H23Cl2NO
Molecular Weight328.28 g/mol
Exact Mass327.12
IUPAC Name(E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
SMILESCC(C)CN(CC(C)C)C(=O)/C=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C17H23Cl2NO/c1-12(2)10-20(11-13(3)4)17(21)9-8-14-15(18)6-5-7-16(14)19/h5-9,12-13H,10-11H2,1-4H3/b9-8+
InChIKeySMDXZQNVZFXQDS-CMDGGOBGSA-N
XLogP5.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.28
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N-dibutyl-3-(2,6-dichlorophenyl)prop-2-enamide
CID 6076120
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
3-(2,6-dichlorophenyl)-N,N-dihexylprop-2-enamide
CID 4626458
(Z)-4-(2,6-dichlorophenyl)but-3-en-2-one
CID 42556106
3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide
CID 79381969
(E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6140170
(Z)-1-(2,6-dichlorophenyl)-4-methylpent-1-en-3-one
CID 92531585
(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6000305
methyl 3-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-ethylamino]propanoate
CID 61011044
(E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 78854693
(E)-3-(2-chloro-6-fluorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 107482944
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418447

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide (CID 6026974) is (E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide is CC(C)CN(CC(C)C)C(=O)/C=C/c1c(Cl)cccc1Cl.
What is the InChIKey of (E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide?
The InChIKey is SMDXZQNVZFXQDS-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H23Cl2NO/c1-12(2)10-20(11-13(3)4)17(21)9-8-14-15(18)6-5-7-16(14)19/h5-9,12-13H,10-11H2,1-4H3/b9-8+.
What are the key properties of (E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide?
(E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide has a molecular weight of 328.28 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 6026974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).