(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide

C17H24N2O4 — CID 8547339

IUPAC(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCC(=O)NC(C)(C)C)cc(OC)c1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)19-16(21)11-18-15(20)7-6-12-8-13(22-4)10-14(9-12)23-5/h6-10H,11H2,1-5H3,(H,18,20)(H,19,21)/b7-6+
InChIKeyYWAAVSAYYKGJEV-VOTSOKGWSA-N
MW320.39 g/mol
LogP1.75
Rot. Bonds6

About (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide

(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide (PubChem CID 8547339) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
PubChem CID8547339
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCC(=O)NC(C)(C)C)cc(OC)c1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)19-16(21)11-18-15(20)7-6-12-8-13(22-4)10-14(9-12)23-5/h6-10H,11H2,1-5H3,(H,18,20)(H,19,21)/b7-6+
InChIKeyYWAAVSAYYKGJEV-VOTSOKGWSA-N
XLogP1.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide
CID 47117254
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 26457029
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 51222176
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 51222198
methyl (2S)-2-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]-2-methylbutanoate
CID 94801002
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895
4-[(E)-3-[[2-(tert-butylamino)-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35714063
N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77056258
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26456915
(E)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 9079335
tert-butyl N-[2-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918842
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 18086806

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide (CID 8547339) is (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)NCC(=O)NC(C)(C)C)cc(OC)c1.
What is the InChIKey of (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The InChIKey is YWAAVSAYYKGJEV-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,3)19-16(21)11-18-15(20)7-6-12-8-13(22-4)10-14(9-12)23-5/h6-10H,11H2,1-5H3,(H,18,20)(H,19,21)/b7-6+.
What are the key properties of (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide?
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide has a molecular weight of 320.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 8547339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).