N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide

C29H26N2O3 — CID 4940910

IUPACN-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)C=Cc2ccc(OC)cc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C29H26N2O3/c1-3-31(27-10-6-8-22-7-4-5-9-26(22)27)29(33)23-14-16-24(17-15-23)30-28(32)20-13-21-11-18-25(34-2)19-12-21/h4-20H,3H2,1-2H3,(H,30,32)
InChIKeyPVVNHOMRSIOLNK-UHFFFAOYSA-N
MW450.54 g/mol
LogP6.17
Rot. Bonds7

About N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide

N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide (PubChem CID 4940910) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide
PubChem CID4940910
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC NameN-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1ccc(NC(=O)C=Cc2ccc(OC)cc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C29H26N2O3/c1-3-31(27-10-6-8-22-7-4-5-9-26(22)27)29(33)23-14-16-24(17-15-23)30-28(32)20-13-21-11-18-25(34-2)19-12-21/h4-20H,3H2,1-2H3,(H,30,32)
InChIKeyPVVNHOMRSIOLNK-UHFFFAOYSA-N
XLogP6.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-naphthalen-1-ylbenzamide
CID 6234774
4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 26168850
N-ethyl-4-[(4-methoxybenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 4940850
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 6234760
4-benzamido-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940825
ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate
CID 26168945
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 954315
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide
CID 4940853
4-[(2,2-diphenylacetyl)amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940823
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide?
The IUPAC name of N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide (CID 4940910) is N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide?
The canonical SMILES for N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide is CCN(C(=O)c1ccc(NC(=O)C=Cc2ccc(OC)cc2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide?
The InChIKey is PVVNHOMRSIOLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-3-31(27-10-6-8-22-7-4-5-9-26(22)27)29(33)23-14-16-24(17-15-23)30-28(32)20-13-21-11-18-25(34-2)19-12-21/h4-20H,3H2,1-2H3,(H,30,32).
What are the key properties of N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide?
N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide has a molecular weight of 450.54 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 4940910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).