(E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide

C19H21N3O3 — CID 39185656

IUPAC(E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(NC(=O)CN)cc2C)c1
InChIInChI=1S/C19H21N3O3/c1-13-10-15(21-19(24)12-20)7-8-17(13)22-18(23)9-6-14-4-3-5-16(11-14)25-2/h3-11H,12,20H2,1-2H3,(H,21,24)(H,22,23)/b9-6+
InChIKeyQTCIJPXLEXSNGZ-RMKNXTFCSA-N
MW339.40 g/mol
LogP2.55
Rot. Bonds6

About (E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide

(E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 39185656) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID39185656
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(NC(=O)CN)cc2C)c1
InChIInChI=1S/C19H21N3O3/c1-13-10-15(21-19(24)12-20)7-8-17(13)22-18(23)9-6-14-4-3-5-16(11-14)25-2/h3-11H,12,20H2,1-2H3,(H,21,24)(H,22,23)/b9-6+
InChIKeyQTCIJPXLEXSNGZ-RMKNXTFCSA-N
XLogP2.55
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide
CID 82034593
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
(E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867858
(E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2678857
[2-(3-methylanilino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
CID 71823238
[2-(4-methylanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2543449
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2543477
(E)-N-[2-[(2-aminoacetyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 39192678
(E)-3-(3-methoxyphenyl)-N-(4-methoxy-3-sulfamoylphenyl)prop-2-enamide
CID 24634483
(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684281
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 7688971
3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide
CID 103597812

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide (CID 39185656) is (E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ccc(NC(=O)CN)cc2C)c1.
What is the InChIKey of (E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is QTCIJPXLEXSNGZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-10-15(21-19(24)12-20)7-8-17(13)22-18(23)9-6-14-4-3-5-16(11-14)25-2/h3-11H,12,20H2,1-2H3,(H,21,24)(H,22,23)/b9-6+.
What are the key properties of (E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 339.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 39185656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).