(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(4-benzylmorpholin-2-yl)methyl]prop-2-enamide

C24H29N3O5 — CID 55462594

IUPAC(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(4-benzylmorpholin-2-yl)methyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCC2CN(Cc3ccccc3)CCO2)ccc1OCC(N)=O
InChIInChI=1S/C24H29N3O5/c1-30-22-13-18(7-9-21(22)32-17-23(25)28)8-10-24(29)26-14-20-16-27(11-12-31-20)15-19-5-3-2-4-6-19/h2-10,13,20H,11-12,14-17H2,1H3,(H2,25,28)(H,26,29)/b10-8+
InChIKeyFMZZLBACJCYZFC-CSKARUKUSA-N
MW439.51 g/mol
LogP1.59
Rot. Bonds10

About (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(4-benzylmorpholin-2-yl)methyl]prop-2-enamide

(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(4-benzylmorpholin-2-yl)methyl]prop-2-enamide (PubChem CID 55462594) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(4-benzylmorpholin-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(4-benzylmorpholin-2-yl)methyl]prop-2-enamide
PubChem CID55462594
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(4-benzylmorpholin-2-yl)methyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCC2CN(Cc3ccccc3)CCO2)ccc1OCC(N)=O
InChIInChI=1S/C24H29N3O5/c1-30-22-13-18(7-9-21(22)32-17-23(25)28)8-10-24(29)26-14-20-16-27(11-12-31-20)15-19-5-3-2-4-6-19/h2-10,13,20H,11-12,14-17H2,1H3,(H2,25,28)(H,26,29)/b10-8+
InChIKeyFMZZLBACJCYZFC-CSKARUKUSA-N
XLogP1.59
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-(2-benzylpyrazol-3-yl)prop-2-enamide
CID 55432950
N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55740410
(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 15125273
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 9456421
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 30468311
N-[(4-benzylmorpholin-2-yl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 42895596
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26900131
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide
CID 31719529

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(4-benzylmorpholin-2-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(4-benzylmorpholin-2-yl)methyl]prop-2-enamide (CID 55462594) is (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(4-benzylmorpholin-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(4-benzylmorpholin-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(4-benzylmorpholin-2-yl)methyl]prop-2-enamide is COc1cc(/C=C/C(=O)NCC2CN(Cc3ccccc3)CCO2)ccc1OCC(N)=O.
What is the InChIKey of (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(4-benzylmorpholin-2-yl)methyl]prop-2-enamide?
The InChIKey is FMZZLBACJCYZFC-CSKARUKUSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-30-22-13-18(7-9-21(22)32-17-23(25)28)8-10-24(29)26-14-20-16-27(11-12-31-20)15-19-5-3-2-4-6-19/h2-10,13,20H,11-12,14-17H2,1H3,(H2,25,28)(H,26,29)/b10-8+.
What are the key properties of (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(4-benzylmorpholin-2-yl)methyl]prop-2-enamide?
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(4-benzylmorpholin-2-yl)methyl]prop-2-enamide has a molecular weight of 439.51 g/mol, XLogP of 1.59, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(4-benzylmorpholin-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 55462594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).