N-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide

C21H26N2O5 — CID 140732055

IUPACN-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc(N)c1OC
InChIInChI=1S/C21H26N2O5/c1-6-19(24)23-16-10-13(9-15(22)20(16)27-4)7-8-14-11-17(25-2)21(28-5)18(12-14)26-3/h7-12H,6,22H2,1-5H3,(H,23,24)/b8-7-
InChIKeyWNAQOCUMIMLSPF-FPLPWBNLSA-N
MW386.45 g/mol
LogP3.82
Rot. Bonds8

About N-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide

N-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide (PubChem CID 140732055) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
PubChem CID140732055
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc(N)c1OC
InChIInChI=1S/C21H26N2O5/c1-6-19(24)23-16-10-13(9-15(22)20(16)27-4)7-8-14-11-17(25-2)21(28-5)18(12-14)26-3/h7-12H,6,22H2,1-5H3,(H,23,24)/b8-7-
InChIKeyWNAQOCUMIMLSPF-FPLPWBNLSA-N
XLogP3.82
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-amino-4,5-dimethoxyphenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359847
2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521859
2-amino-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521879
N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide
CID 164618403
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155816075
(E)-3-(2-aminophenyl)-N-[2-hydroxy-3-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360111
(E)-3-(2-aminophenyl)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359897
(E)-3-(3-amino-4-methoxyphenyl)-N-[2-hydroxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359428
(E)-3-(4-aminophenyl)-N-[2-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359857
(E)-3-(3-amino-4-methoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359458
(E)-3-(3,4-dimethoxyphenyl)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197468

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
The IUPAC name of N-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide (CID 140732055) is N-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide.
What is the SMILES notation for N-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
The canonical SMILES for N-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide is CCC(=O)Nc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc(N)c1OC.
What is the InChIKey of N-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
The InChIKey is WNAQOCUMIMLSPF-FPLPWBNLSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-6-19(24)23-16-10-13(9-15(22)20(16)27-4)7-8-14-11-17(25-2)21(28-5)18(12-14)26-3/h7-12H,6,22H2,1-5H3,(H,23,24)/b8-7-.
What are the key properties of N-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
N-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide has a molecular weight of 386.45 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide is sourced from PubChem (CID 140732055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).