(Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide

C19H21N3O3 — CID 98467942

IUPAC(Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide
SMILESC[C@H](c1ccncc1)N(C)C(=O)/C=C\c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C19H21N3O3/c1-14(16-9-11-21-12-10-16)22(2)19(24)8-5-15-3-6-17(7-4-15)25-13-18(20)23/h3-12,14H,13H2,1-2H3,(H2,20,23)/b8-5-/t14-/m1/s1
InChIKeyLSQPMSFVAKOMJP-BMWLXYDHSA-N
MW339.40 g/mol
LogP2.18
Rot. Bonds7

About (Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide

(Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide (PubChem CID 98467942) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide
PubChem CID98467942
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide
SMILESC[C@H](c1ccncc1)N(C)C(=O)/C=C\c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C19H21N3O3/c1-14(16-9-11-21-12-10-16)22(2)19(24)8-5-15-3-6-17(7-4-15)25-13-18(20)23/h3-12,14H,13H2,1-2H3,(H2,20,23)/b8-5-/t14-/m1/s1
InChIKeyLSQPMSFVAKOMJP-BMWLXYDHSA-N
XLogP2.18
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide with MolForge

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Related Compounds

(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[(2R)-2-cyanopropyl]-N-methylprop-2-enamide
CID 94813862
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide
CID 9400445
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 56810298
2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide
CID 43181000
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 134030570
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[(3-cyanophenyl)methyl]-N-methylprop-2-enamide
CID 56808077
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide
CID 56811678
2-[3-(4-ethoxyphenyl)prop-2-enoyl-methylamino]butanoic acid
CID 76930450
(E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 28639843
2-[4-(2-formyl-3-methylbut-1-enyl)phenoxy]acetamide
CID 79335180
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide
CID 134030275

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide?
The IUPAC name of (Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide (CID 98467942) is (Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide?
The canonical SMILES for (Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide is C[C@H](c1ccncc1)N(C)C(=O)/C=C\c1ccc(OCC(N)=O)cc1.
What is the InChIKey of (Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide?
The InChIKey is LSQPMSFVAKOMJP-BMWLXYDHSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14(16-9-11-21-12-10-16)22(2)19(24)8-5-15-3-6-17(7-4-15)25-13-18(20)23/h3-12,14H,13H2,1-2H3,(H2,20,23)/b8-5-/t14-/m1/s1.
What are the key properties of (Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide?
(Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide has a molecular weight of 339.40 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide is sourced from PubChem (CID 98467942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).