(E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide

C17H24ClNO — CID 2289651

IUPAC(E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide
SMILESCC(C)CCC[C@@H](C)NC(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C17H24ClNO/c1-13(2)7-6-8-14(3)19-17(20)12-11-15-9-4-5-10-16(15)18/h4-5,9-14H,6-8H2,1-3H3,(H,19,20)/b12-11+/t14-/m1/s1
InChIKeySXTCNRDWNCKAMA-GCZGRYASSA-N
MW293.84 g/mol
LogP4.68
Rot. Bonds7

About (E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide (PubChem CID 2289651) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide
PubChem CID2289651
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name(E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide
SMILESCC(C)CCC[C@@H](C)NC(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C17H24ClNO/c1-13(2)7-6-8-14(3)19-17(20)12-11-15-9-4-5-10-16(15)18/h4-5,9-14H,6-8H2,1-3H3,(H,19,20)/b12-11+/t14-/m1/s1
InChIKeySXTCNRDWNCKAMA-GCZGRYASSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chlorophenyl)-N-pentan-2-ylprop-2-enamide
CID 6089494
3-(2-chlorophenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2905028
(Z)-3-(2-chlorophenyl)-N-[(2R)-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 129441523
3-(2-chlorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037719
(E)-3-(2-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 9299921
2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethylpropanamide
CID 47112935
3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 4949705
3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75616541
3-(2-chlorophenyl)-N-(1-phenylethylcarbamothioyl)prop-2-enamide
CID 4508709
(Z)-4-(2-chlorophenyl)but-3-en-2-one
CID 23273586
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6258276
3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide
CID 131848081

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide (CID 2289651) is (E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide is CC(C)CCC[C@@H](C)NC(=O)/C=C/c1ccccc1Cl.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide?
The InChIKey is SXTCNRDWNCKAMA-GCZGRYASSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-13(2)7-6-8-14(3)19-17(20)12-11-15-9-4-5-10-16(15)18/h4-5,9-14H,6-8H2,1-3H3,(H,19,20)/b12-11+/t14-/m1/s1.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide has a molecular weight of 293.84 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[(2R)-6-methylheptan-2-yl]prop-2-enamide is sourced from PubChem (CID 2289651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).