(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide

C22H27N3O3 — CID 134030275

IUPAC(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide
SMILESCCN(c1ccc(NC(=O)/C=C/c2ccc(OCC(N)=O)cc2)cc1)C(C)C
InChIInChI=1S/C22H27N3O3/c1-4-25(16(2)3)19-10-8-18(9-11-19)24-22(27)14-7-17-5-12-20(13-6-17)28-15-21(23)26/h5-14,16H,4,15H2,1-3H3,(H2,23,26)(H,24,27)/b14-7+
InChIKeyQSFXGYUCUNPZOD-VGOFMYFVSA-N
MW381.48 g/mol
LogP3.44
Rot. Bonds9

About (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide

(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide (PubChem CID 134030275) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide
PubChem CID134030275
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide
SMILESCCN(c1ccc(NC(=O)/C=C/c2ccc(OCC(N)=O)cc2)cc1)C(C)C
InChIInChI=1S/C22H27N3O3/c1-4-25(16(2)3)19-10-8-18(9-11-19)24-22(27)14-7-17-5-12-20(13-6-17)28-15-21(23)26/h5-14,16H,4,15H2,1-3H3,(H2,23,26)(H,24,27)/b14-7+
InChIKeyQSFXGYUCUNPZOD-VGOFMYFVSA-N
XLogP3.44
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide
CID 7892131
3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(4-bromo-3-methylphenyl)prop-2-enamide
CID 76854308
4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide
CID 51139815
(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-2-ylprop-2-enamide
CID 86992648
(E)-3-(1,3-benzodioxol-5-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide
CID 7551622
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 74659842
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide
CID 9400445
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methylprop-2-enoxy)phenyl]prop-2-enamide
CID 17227148
(E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 33256092
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
(E)-3-(2,3-dimethoxyphenyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide
CID 7551635

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide (CID 134030275) is (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide is CCN(c1ccc(NC(=O)/C=C/c2ccc(OCC(N)=O)cc2)cc1)C(C)C.
What is the InChIKey of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide?
The InChIKey is QSFXGYUCUNPZOD-VGOFMYFVSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-4-25(16(2)3)19-10-8-18(9-11-19)24-22(27)14-7-17-5-12-20(13-6-17)28-15-21(23)26/h5-14,16H,4,15H2,1-3H3,(H2,23,26)(H,24,27)/b14-7+.
What are the key properties of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide?
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide has a molecular weight of 381.48 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 134030275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).