(1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide

C24H27NO — CID 7271639

IUPAC(1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1[C@H]2CC/C=C\CC/C=C/CC[C@H]12
InChIInChI=1S/C24H27NO/c26-24(25-22-17-11-13-18-12-9-10-14-19(18)22)23-20-15-7-5-3-1-2-4-6-8-16-21(20)23/h3-6,9-14,17,20-21,23H,1-2,7-8,15-16H2,(H,25,26)/b5-3-,6-4+/t20-,21-,23?/m0/s1
InChIKeyLDWOCVLKNFPNQW-ONTZPFSDSA-N
MW345.49 g/mol
LogP6.11
Rot. Bonds2

About (1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide

(1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide (PubChem CID 7271639) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is (1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide.

Molecular Properties

Compound Name(1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
PubChem CID7271639
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name(1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1[C@H]2CC/C=C\CC/C=C/CC[C@H]12
InChIInChI=1S/C24H27NO/c26-24(25-22-17-11-13-18-12-9-10-14-19(18)22)23-20-15-7-5-3-1-2-4-6-8-16-21(20)23/h3-6,9-14,17,20-21,23H,1-2,7-8,15-16H2,(H,25,26)/b5-3-,6-4+/t20-,21-,23?/m0/s1
InChIKeyLDWOCVLKNFPNQW-ONTZPFSDSA-N
XLogP6.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide with MolForge

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Related Compounds

(1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
CID 7375079
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CID 99646705
N-naphthalen-1-ylpiperidine-4-carboxamide
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3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
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trans-(1R,2R)-2-(naphthalen-1-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 823443
(1R)-N-naphthalen-1-yl-2-phenylcyclobutane-1-carboxamide
CID 146488931
(1S,6S)-6-(naphthalen-1-ylcarbamoyl)cyclohex-3-ene-1-carboxylate
CID 6944650
(1R,6S)-6-(naphthalen-1-ylcarbamoyl)cyclohex-3-ene-1-carboxylate
CID 6944652
(1R,2S,3S,6S,7R,9S)-2-bromo-N-naphthalen-1-yl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 124719553
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
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Frequently Asked Questions

What is the IUPAC name of (1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The IUPAC name of (1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide (CID 7271639) is (1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide.
What is the SMILES notation for (1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The canonical SMILES for (1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide is O=C(Nc1cccc2ccccc12)C1[C@H]2CC/C=C\CC/C=C/CC[C@H]12.
What is the InChIKey of (1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
The InChIKey is LDWOCVLKNFPNQW-ONTZPFSDSA-N. The full InChI is InChI=1S/C24H27NO/c26-24(25-22-17-11-13-18-12-9-10-14-19(18)22)23-20-15-7-5-3-1-2-4-6-8-16-21(20)23/h3-6,9-14,17,20-21,23H,1-2,7-8,15-16H2,(H,25,26)/b5-3-,6-4+/t20-,21-,23?/m0/s1.
What are the key properties of (1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide?
(1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 6.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide is sourced from PubChem (CID 7271639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).