N-hexyl-N'-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-N'-phenylpropanediamide

C29H34N2O2 — CID 170919299

IUPACN-hexyl-N'-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-N'-phenylpropanediamide
SMILESCCCCCCNC(=O)C(/C=C(\C)c1ccc2ccccc2c1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C29H34N2O2/c1-4-5-6-12-19-30-28(32)27(29(33)31(3)26-15-8-7-9-16-26)20-22(2)24-18-17-23-13-10-11-14-25(23)21-24/h7-11,13-18,20-21,27H,4-6,12,19H2,1-3H3,(H,30,32)/b22-20+
InChIKeyQPXZLGKMTZFNJV-LSDHQDQOSA-N
MW442.60 g/mol
LogP6.22
Rot. Bonds10

About N-hexyl-N'-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-N'-phenylpropanediamide

N-hexyl-N'-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-N'-phenylpropanediamide (PubChem CID 170919299) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is N-hexyl-N'-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-N'-phenylpropanediamide.

Molecular Properties

Compound NameN-hexyl-N'-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-N'-phenylpropanediamide
PubChem CID170919299
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC NameN-hexyl-N'-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-N'-phenylpropanediamide
SMILESCCCCCCNC(=O)C(/C=C(\C)c1ccc2ccccc2c1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C29H34N2O2/c1-4-5-6-12-19-30-28(32)27(29(33)31(3)26-15-8-7-9-16-26)20-22(2)24-18-17-23-13-10-11-14-25(23)21-24/h7-11,13-18,20-21,27H,4-6,12,19H2,1-3H3,(H,30,32)/b22-20+
InChIKeyQPXZLGKMTZFNJV-LSDHQDQOSA-N
XLogP6.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-[(Z)-octadec-9-enyl]-N-phenyl-2-[(E)-2-phenylprop-1-enyl]propanediamide
CID 170919280
N-methyl-N-phenyl-2-[(E)-2-phenylprop-1-enyl]-N'-prop-2-ynylpropanediamide
CID 170919272
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
N-pentylnaphthalene-2-carboxamide
CID 91722098
1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109043733
2-(naphthalen-2-ylamino)-N-pentylpropanamide
CID 43420250
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid
CID 44726898
dodecyl-methyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium
CID 101026231
[2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8573841

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N'-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-N'-phenylpropanediamide?
The IUPAC name of N-hexyl-N'-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-N'-phenylpropanediamide (CID 170919299) is N-hexyl-N'-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-N'-phenylpropanediamide.
What is the SMILES notation for N-hexyl-N'-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-N'-phenylpropanediamide?
The canonical SMILES for N-hexyl-N'-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-N'-phenylpropanediamide is CCCCCCNC(=O)C(/C=C(\C)c1ccc2ccccc2c1)C(=O)N(C)c1ccccc1.
What is the InChIKey of N-hexyl-N'-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-N'-phenylpropanediamide?
The InChIKey is QPXZLGKMTZFNJV-LSDHQDQOSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-4-5-6-12-19-30-28(32)27(29(33)31(3)26-15-8-7-9-16-26)20-22(2)24-18-17-23-13-10-11-14-25(23)21-24/h7-11,13-18,20-21,27H,4-6,12,19H2,1-3H3,(H,30,32)/b22-20+.
What are the key properties of N-hexyl-N'-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-N'-phenylpropanediamide?
N-hexyl-N'-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-N'-phenylpropanediamide has a molecular weight of 442.60 g/mol, XLogP of 6.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N'-methyl-2-[(E)-2-naphthalen-2-ylprop-1-enyl]-N'-phenylpropanediamide is sourced from PubChem (CID 170919299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).