(Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide

C21H26N2O3 — CID 51123778

IUPAC(Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NC(C)c1ccc(OCc2ccncc2)c(OC)c1
InChIInChI=1S/C21H26N2O3/c1-5-6-15(2)21(24)23-16(3)18-7-8-19(20(13-18)25-4)26-14-17-9-11-22-12-10-17/h6-13,16H,5,14H2,1-4H3,(H,23,24)/b15-6-
InChIKeyKAGFUPHJTPNZSD-UUASQNMZSA-N
MW354.45 g/mol
LogP4.20
Rot. Bonds8

About (Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide

(Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide (PubChem CID 51123778) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide
PubChem CID51123778
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NC(C)c1ccc(OCc2ccncc2)c(OC)c1
InChIInChI=1S/C21H26N2O3/c1-5-6-15(2)21(24)23-16(3)18-7-8-19(20(13-18)25-4)26-14-17-9-11-22-12-10-17/h6-13,16H,5,14H2,1-4H3,(H,23,24)/b15-6-
InChIKeyKAGFUPHJTPNZSD-UUASQNMZSA-N
XLogP4.20
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119852198
5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
CID 55807881
1-amino-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852194
2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
CID 55806619
4-bromo-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 55932540
2-iodo-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
CID 55808073
4-(4-chlorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]butanamide
CID 55807066
2-(4-fluorophenyl)sulfanyl-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
CID 55807913
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933705
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-(3-phenylprop-2-enoylamino)propanamide
CID 55933181
(1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30110379
2-amino-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798291

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide (CID 51123778) is (Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NC(C)c1ccc(OCc2ccncc2)c(OC)c1.
What is the InChIKey of (Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide?
The InChIKey is KAGFUPHJTPNZSD-UUASQNMZSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-6-15(2)21(24)23-16(3)18-7-8-19(20(13-18)25-4)26-14-17-9-11-22-12-10-17/h6-13,16H,5,14H2,1-4H3,(H,23,24)/b15-6-.
What are the key properties of (Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide?
(Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide has a molecular weight of 354.45 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide is sourced from PubChem (CID 51123778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).