N-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide

C26H28N2O3 — CID 3101414

IUPACN-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)N(CC)CC)c2ccccc12
InChIInChI=1S/C26H28N2O3/c1-4-28(5-2)26(30)23(27-25(29)19-12-8-7-9-13-19)18-20-16-17-24(31-6-3)22-15-11-10-14-21(20)22/h7-18H,4-6H2,1-3H3,(H,27,29)
InChIKeyVAKWHJCUHFVZIZ-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.88
Rot. Bonds8

About N-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide

N-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 3101414) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID3101414
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)N(CC)CC)c2ccccc12
InChIInChI=1S/C26H28N2O3/c1-4-28(5-2)26(30)23(27-25(29)19-12-8-7-9-13-19)18-20-16-17-24(31-6-3)22-15-11-10-14-21(20)22/h7-18H,4-6H2,1-3H3,(H,27,29)
InChIKeyVAKWHJCUHFVZIZ-UHFFFAOYSA-N
XLogP4.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.88
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-[(E)-1-anthracen-9-yl-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 6184528
N-[3-(diethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 3120736
methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 1376034
methyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 2836669
ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 4038214
propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 6073177
2-benzamido-3-(3-chloro-4,5-diethoxyphenyl)prop-2-enoic acid
CID 4768678
N-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 2005573
2-benzamido-3-naphthalen-1-ylprop-2-enoic acid
CID 1099149
1-phenyl-3-(2,3,4-triethoxyphenyl)prop-2-en-1-one
CID 70287765
(E)-2-benzamido-3-(3-ethoxy-5-iodo-4-propoxyphenyl)prop-2-enoic acid
CID 6209924
4-butoxy-N-[1-(4-chlorophenyl)-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2907608

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide (CID 3101414) is N-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide is CCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)N(CC)CC)c2ccccc12.
What is the InChIKey of N-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is VAKWHJCUHFVZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-4-28(5-2)26(30)23(27-25(29)19-12-8-7-9-13-19)18-20-16-17-24(31-6-3)22-15-11-10-14-21(20)22/h7-18H,4-6H2,1-3H3,(H,27,29).
What are the key properties of N-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide?
N-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 3101414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).