(E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

C21H28N4O2 — CID 55519710

IUPAC(E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCC(C)C(CNC(=O)/C=C/c1cnn(-c2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C21H28N4O2/c1-17(2)20(24-10-12-27-13-11-24)15-22-21(26)9-8-18-14-23-25(16-18)19-6-4-3-5-7-19/h3-9,14,16-17,20H,10-13,15H2,1-2H3,(H,22,26)/b9-8+
InChIKeyUIVGHGQNDLWUSH-CMDGGOBGSA-N
MW368.48 g/mol
LogP2.36
Rot. Bonds7

About (E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

(E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 55519710) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID55519710
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCC(C)C(CNC(=O)/C=C/c1cnn(-c2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C21H28N4O2/c1-17(2)20(24-10-12-27-13-11-24)15-22-21(26)9-8-18-14-23-25(16-18)19-6-4-3-5-7-19/h3-9,14,16-17,20H,10-13,15H2,1-2H3,(H,22,26)/b9-8+
InChIKeyUIVGHGQNDLWUSH-CMDGGOBGSA-N
XLogP2.36
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1-phenylpyrazol-4-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 42923712
(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 42889429
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111931142
(E)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 42891904
N-(2-hydroxy-2,3-dimethylpentyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 111463582
(E)-N-butyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 47118618
(E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 60576773
(E)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9144010
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 8547505
(E)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 94178944
(E)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 46627854
2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
CID 110402733

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide (CID 55519710) is (E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide is CC(C)C(CNC(=O)/C=C/c1cnn(-c2ccccc2)c1)N1CCOCC1.
What is the InChIKey of (E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is UIVGHGQNDLWUSH-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-17(2)20(24-10-12-27-13-11-24)15-22-21(26)9-8-18-14-23-25(16-18)19-6-4-3-5-7-19/h3-9,14,16-17,20H,10-13,15H2,1-2H3,(H,22,26)/b9-8+.
What are the key properties of (E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
(E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 368.48 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methyl-2-morpholin-4-ylbutyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 55519710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).