(E)-2-cyano-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-propan-2-ylprop-2-enamide

C22H24N2O4 — CID 9398441

IUPAC(E)-2-cyano-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-propan-2-ylprop-2-enamide
SMILESCOc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C22H24N2O4/c1-15(2)24-22(25)18(13-23)10-17-11-19(26-3)21(20(12-17)27-4)28-14-16-8-6-5-7-9-16/h5-12,15H,14H2,1-4H3,(H,24,25)/b18-10+
InChIKeyHRPCHQOGQDGEKX-VCHYOVAHSA-N
MW380.44 g/mol
LogP3.71
Rot. Bonds8

About (E)-2-cyano-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-propan-2-ylprop-2-enamide

(E)-2-cyano-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-propan-2-ylprop-2-enamide (PubChem CID 9398441) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (E)-2-cyano-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-propan-2-ylprop-2-enamide
PubChem CID9398441
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(E)-2-cyano-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-propan-2-ylprop-2-enamide
SMILESCOc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C22H24N2O4/c1-15(2)24-22(25)18(13-23)10-17-11-19(26-3)21(20(12-17)27-4)28-14-16-8-6-5-7-9-16/h5-12,15H,14H2,1-4H3,(H,24,25)/b18-10+
InChIKeyHRPCHQOGQDGEKX-VCHYOVAHSA-N
XLogP3.71
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-3-(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 126234395
2-cyano-3-(3-ethoxy-4-phenylmethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 3585624
(Z)-2-cyano-3-(4-ethoxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
CID 60620378
N-benzyl-2-cyano-3-(4-ethoxy-3,5-dimethoxyphenyl)prop-2-enamide
CID 76879719
(Z)-3-[3-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-cyano-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 126226695
(Z)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-cyano-N-propan-2-ylprop-2-enamide
CID 17370414
(Z)-3-[4-[(4-bromophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 126249108
(Z)-2-cyano-3-[3-iodo-5-methoxy-4-(naphthalen-2-ylmethoxy)phenyl]-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 126247309
(E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-cyano-N-[(2R)-oxolan-2-yl]prop-2-enamide
CID 27004294
(Z)-3-[3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-2-cyano-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 126257527
(Z)-2-cyano-3-[3-iodo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 126248201
(E)-2-cyano-3-[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-ylprop-2-enamide
CID 29037178

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-propan-2-ylprop-2-enamide (CID 9398441) is (E)-2-cyano-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-propan-2-ylprop-2-enamide is COc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(OC)c1OCc1ccccc1.
What is the InChIKey of (E)-2-cyano-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-propan-2-ylprop-2-enamide?
The InChIKey is HRPCHQOGQDGEKX-VCHYOVAHSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15(2)24-22(25)18(13-23)10-17-11-19(26-3)21(20(12-17)27-4)28-14-16-8-6-5-7-9-16/h5-12,15H,14H2,1-4H3,(H,24,25)/b18-10+.
What are the key properties of (E)-2-cyano-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-propan-2-ylprop-2-enamide?
(E)-2-cyano-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-propan-2-ylprop-2-enamide has a molecular weight of 380.44 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 9398441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).