(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide

C24H26N2O2 — CID 84552085

IUPAC(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide
SMILESCOc1cc(C)c(/C=C/C(=O)NCCNc2cccc3ccccc23)c(C)c1
InChIInChI=1S/C24H26N2O2/c1-17-15-20(28-3)16-18(2)21(17)11-12-24(27)26-14-13-25-23-10-6-8-19-7-4-5-9-22(19)23/h4-12,15-16,25H,13-14H2,1-3H3,(H,26,27)/b12-11+
InChIKeyOBCCIPRSWBPAMZ-VAWYXSNFSA-N
MW374.48 g/mol
LogP4.71
Rot. Bonds7

About (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide

(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide (PubChem CID 84552085) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide
PubChem CID84552085
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide
SMILESCOc1cc(C)c(/C=C/C(=O)NCCNc2cccc3ccccc23)c(C)c1
InChIInChI=1S/C24H26N2O2/c1-17-15-20(28-3)16-18(2)21(17)11-12-24(27)26-14-13-25-23-10-6-8-19-7-4-5-9-22(19)23/h4-12,15-16,25H,13-14H2,1-3H3,(H,26,27)/b12-11+
InChIKeyOBCCIPRSWBPAMZ-VAWYXSNFSA-N
XLogP4.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 84557472
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide
CID 84557751
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
CID 84557468
(Z)-4-[2-(naphthalen-1-ylamino)ethylamino]-4-oxobut-2-enoic acid
CID 82036808
(E)-3-(4-hydroxyphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide
CID 84553505
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 84558392
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide
CID 84557501
(E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552099
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
(E)-N-(2,4-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552012
N-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine
CID 143649592
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide
CID 8713953

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide (CID 84552085) is (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide is COc1cc(C)c(/C=C/C(=O)NCCNc2cccc3ccccc23)c(C)c1.
What is the InChIKey of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide?
The InChIKey is OBCCIPRSWBPAMZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-17-15-20(28-3)16-18(2)21(17)11-12-24(27)26-14-13-25-23-10-6-8-19-7-4-5-9-22(19)23/h4-12,15-16,25H,13-14H2,1-3H3,(H,26,27)/b12-11+.
What are the key properties of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide?
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide has a molecular weight of 374.48 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 84552085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).