(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide

C19H28N2O4 — CID 51222198

IUPAC(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NCC(=O)NC(C)(C)C)cc1OCC
InChIInChI=1S/C19H28N2O4/c1-6-24-15-10-8-14(12-16(15)25-7-2)9-11-17(22)20-13-18(23)21-19(3,4)5/h8-12H,6-7,13H2,1-5H3,(H,20,22)(H,21,23)/b11-9+
InChIKeyHBMNRAJLBXDHAU-PKNBQFBNSA-N
MW348.44 g/mol
LogP2.53
Rot. Bonds8

About (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide

(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide (PubChem CID 51222198) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide
PubChem CID51222198
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NCC(=O)NC(C)(C)C)cc1OCC
InChIInChI=1S/C19H28N2O4/c1-6-24-15-10-8-14(12-16(15)25-7-2)9-11-17(22)20-13-18(23)21-19(3,4)5/h8-12H,6-7,13H2,1-5H3,(H,20,22)(H,21,23)/b11-9+
InChIKeyHBMNRAJLBXDHAU-PKNBQFBNSA-N
XLogP2.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.53
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

(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 51222176
3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
CID 102603082
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 26457029
(E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 26712804
N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide
CID 47117254
3-(3,4-diethoxyphenyl)-N-(5-hydroxy-4,4-dimethylpentyl)prop-2-enamide
CID 71848397
3-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]propanoic acid
CID 131846364
3-(3-ethoxy-4-propoxyphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 85461530
[2-(tert-butylamino)-2-oxoethyl] (E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 7790922
2-[[(E)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534978
3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 102603314
3-(3,4-diethoxyphenyl)-N-[2-(pyrimidin-2-ylamino)ethyl]prop-2-enamide
CID 55932798

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide (CID 51222198) is (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)NCC(=O)NC(C)(C)C)cc1OCC.
What is the InChIKey of (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide?
The InChIKey is HBMNRAJLBXDHAU-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-6-24-15-10-8-14(12-16(15)25-7-2)9-11-17(22)20-13-18(23)21-19(3,4)5/h8-12H,6-7,13H2,1-5H3,(H,20,22)(H,21,23)/b11-9+.
What are the key properties of (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide?
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide has a molecular weight of 348.44 g/mol, XLogP of 2.53, 8 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-(3,4-diethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 51222198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).