(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide

C20H30ClNO — CID 6006406

IUPAC(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
SMILESCCCCCCCCCCCNC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H30ClNO/c1-2-3-4-5-6-7-8-9-10-17-22-20(23)16-13-18-11-14-19(21)15-12-18/h11-16H,2-10,17H2,1H3,(H,22,23)/b16-13+
InChIKeySMJRCGYPGABHHP-DTQAZKPQSA-N
MW335.92 g/mol
LogP6.00
Rot. Bonds12

About (E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide

(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide (PubChem CID 6006406) has the molecular formula C20H30ClNO and a molecular weight of 335.92 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
PubChem CID6006406
Molecular FormulaC20H30ClNO
Molecular Weight335.92 g/mol
Exact Mass335.20
IUPAC Name(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
SMILESCCCCCCCCCCCNC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H30ClNO/c1-2-3-4-5-6-7-8-9-10-17-22-20(23)16-13-18-11-14-19(21)15-12-18/h11-16H,2-10,17H2,1H3,(H,22,23)/b16-13+
InChIKeySMJRCGYPGABHHP-DTQAZKPQSA-N
XLogP6.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.92
LogP ≤ 56.00
H-Bond Donors ≤ 51
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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Related Compounds

3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877
(E)-3-(4-methylphenyl)-N-octylprop-2-enamide
CID 6042816
3-(4-methylphenyl)-N-octylprop-2-enamide
CID 4229517
N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4115175
(E)-3-(4-bromophenyl)-N-hexylprop-2-enamide
CID 6024199
3-(4-methylphenyl)-N-pentylprop-2-enamide
CID 3568321
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
N-butyl-3-(4-hydroxyphenyl)prop-2-enamide
CID 56978455
(E)-3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]prop-2-enamide
CID 110440061
3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 2931567
ethyl 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate
CID 47437704
3-(2-chlorophenyl)-N-undecylprop-2-enamide
CID 3474839

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide (CID 6006406) is (E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide is CCCCCCCCCCCNC(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide?
The InChIKey is SMJRCGYPGABHHP-DTQAZKPQSA-N. The full InChI is InChI=1S/C20H30ClNO/c1-2-3-4-5-6-7-8-9-10-17-22-20(23)16-13-18-11-14-19(21)15-12-18/h11-16H,2-10,17H2,1H3,(H,22,23)/b16-13+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide?
(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide has a molecular weight of 335.92 g/mol, XLogP of 6.00, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide is sourced from PubChem (CID 6006406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).