(E)-3-(2-methoxy-5-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide

C21H25NO2 — CID 9192417

IUPAC(E)-3-(2-methoxy-5-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C21H25NO2/c1-14(2)18-8-6-7-16(4)21(18)22-20(23)12-10-17-13-15(3)9-11-19(17)24-5/h6-14H,1-5H3,(H,22,23)/b12-10+
InChIKeyNWVHPVQDGNXTAN-ZRDIBKRKSA-N
MW323.44 g/mol
LogP5.09
Rot. Bonds5

About (E)-3-(2-methoxy-5-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide

(E)-3-(2-methoxy-5-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide (PubChem CID 9192417) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (E)-3-(2-methoxy-5-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxy-5-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide
PubChem CID9192417
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(E)-3-(2-methoxy-5-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C21H25NO2/c1-14(2)18-8-6-7-16(4)21(18)22-20(23)12-10-17-13-15(3)9-11-19(17)24-5/h6-14H,1-5H3,(H,22,23)/b12-10+
InChIKeyNWVHPVQDGNXTAN-ZRDIBKRKSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,5-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]prop-2-enamide
CID 8779040
(E)-N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7668851
(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 8778842
methyl 3-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]-4-methylbenzoate
CID 7669545
4-(2-methyl-6-propan-2-ylanilino)-4-oxobut-2-enoic acid
CID 1415900
(E)-N-(2-methyl-6-propan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1352164
(E)-3-(3-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide
CID 897743
4-(2-methyl-6-propan-2-ylanilino)-4-oxobut-2-enoate
CID 5085766
(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
3-(4-bromophenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide
CID 1001648
(E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 966729
methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxy-5-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxy-5-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide (CID 9192417) is (E)-3-(2-methoxy-5-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxy-5-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxy-5-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide is COc1ccc(C)cc1/C=C/C(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of (E)-3-(2-methoxy-5-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is NWVHPVQDGNXTAN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C21H25NO2/c1-14(2)18-8-6-7-16(4)21(18)22-20(23)12-10-17-13-15(3)9-11-19(17)24-5/h6-14H,1-5H3,(H,22,23)/b12-10+.
What are the key properties of (E)-3-(2-methoxy-5-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide?
(E)-3-(2-methoxy-5-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 323.44 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxy-5-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 9192417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).