(2E,3Z)-3-ethylidene-N-(naphthalen-1-ylmethyl)-2-prop-2-enylidene-1-benzofuran-5-amine

C24H21NO — CID 142075880

IUPAC(2E,3Z)-3-ethylidene-N-(naphthalen-1-ylmethyl)-2-prop-2-enylidene-1-benzofuran-5-amine
SMILESC=C/C=c1/oc2ccc(NCc3cccc4ccccc34)cc2/c1=C/C
InChIInChI=1S/C24H21NO/c1-3-8-23-20(4-2)22-15-19(13-14-24(22)26-23)25-16-18-11-7-10-17-9-5-6-12-21(17)18/h3-15,25H,1,16H2,2H3/b20-4-,23-8+
InChIKeySCLPUNBUIZKARP-IPLZXTIYSA-N
MW339.44 g/mol
LogP4.97
Rot. Bonds4

About (2E,3Z)-3-ethylidene-N-(naphthalen-1-ylmethyl)-2-prop-2-enylidene-1-benzofuran-5-amine

(2E,3Z)-3-ethylidene-N-(naphthalen-1-ylmethyl)-2-prop-2-enylidene-1-benzofuran-5-amine (PubChem CID 142075880) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is (2E,3Z)-3-ethylidene-N-(naphthalen-1-ylmethyl)-2-prop-2-enylidene-1-benzofuran-5-amine.

Molecular Properties

Compound Name(2E,3Z)-3-ethylidene-N-(naphthalen-1-ylmethyl)-2-prop-2-enylidene-1-benzofuran-5-amine
PubChem CID142075880
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name(2E,3Z)-3-ethylidene-N-(naphthalen-1-ylmethyl)-2-prop-2-enylidene-1-benzofuran-5-amine
SMILESC=C/C=c1/oc2ccc(NCc3cccc4ccccc34)cc2/c1=C/C
InChIInChI=1S/C24H21NO/c1-3-8-23-20(4-2)22-15-19(13-14-24(22)26-23)25-16-18-11-7-10-17-9-5-6-12-21(17)18/h3-15,25H,1,16H2,2H3/b20-4-,23-8+
InChIKeySCLPUNBUIZKARP-IPLZXTIYSA-N
XLogP4.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 23769843
N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine
CID 23521797
N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine
CID 22664248
4-(naphthalen-1-ylmethylamino)phenol
CID 918435
ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran
CID 142403527
8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine
CID 22663982
N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine
CID 22663940
4-ethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 964344
1-[(6-ethylidene-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl)methyl]-4-(naphthalen-1-ylmethyl)-1,4-diazepane
CID 123649217
3-[(dibenzo-p-dioxin-2-ylamino)methyl]-2-methoxyphenol
CID 142075877
(2E,3Z)-5-bromo-2-ethylidene-3-prop-2-enylidene-1-benzofuran
CID 144567617
N-[(2-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2972003

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-ethylidene-N-(naphthalen-1-ylmethyl)-2-prop-2-enylidene-1-benzofuran-5-amine?
The IUPAC name of (2E,3Z)-3-ethylidene-N-(naphthalen-1-ylmethyl)-2-prop-2-enylidene-1-benzofuran-5-amine (CID 142075880) is (2E,3Z)-3-ethylidene-N-(naphthalen-1-ylmethyl)-2-prop-2-enylidene-1-benzofuran-5-amine.
What is the SMILES notation for (2E,3Z)-3-ethylidene-N-(naphthalen-1-ylmethyl)-2-prop-2-enylidene-1-benzofuran-5-amine?
The canonical SMILES for (2E,3Z)-3-ethylidene-N-(naphthalen-1-ylmethyl)-2-prop-2-enylidene-1-benzofuran-5-amine is C=C/C=c1/oc2ccc(NCc3cccc4ccccc34)cc2/c1=C/C.
What is the InChIKey of (2E,3Z)-3-ethylidene-N-(naphthalen-1-ylmethyl)-2-prop-2-enylidene-1-benzofuran-5-amine?
The InChIKey is SCLPUNBUIZKARP-IPLZXTIYSA-N. The full InChI is InChI=1S/C24H21NO/c1-3-8-23-20(4-2)22-15-19(13-14-24(22)26-23)25-16-18-11-7-10-17-9-5-6-12-21(17)18/h3-15,25H,1,16H2,2H3/b20-4-,23-8+.
What are the key properties of (2E,3Z)-3-ethylidene-N-(naphthalen-1-ylmethyl)-2-prop-2-enylidene-1-benzofuran-5-amine?
(2E,3Z)-3-ethylidene-N-(naphthalen-1-ylmethyl)-2-prop-2-enylidene-1-benzofuran-5-amine has a molecular weight of 339.44 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-ethylidene-N-(naphthalen-1-ylmethyl)-2-prop-2-enylidene-1-benzofuran-5-amine is sourced from PubChem (CID 142075880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).