N-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide

C19H22INO4 — CID 55883007

IUPACN-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(I)cc2C)c(OC)c1OC
InChIInChI=1S/C19H22INO4/c1-12-11-14(20)7-8-15(12)21-17(22)10-6-13-5-9-16(23-2)19(25-4)18(13)24-3/h5,7-9,11H,6,10H2,1-4H3,(H,21,22)
InChIKeyGFFYYFAKPCVDHO-UHFFFAOYSA-N
MW455.29 g/mol
LogP4.20
Rot. Bonds7

About N-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide

N-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide (PubChem CID 55883007) has the molecular formula C19H22INO4 and a molecular weight of 455.29 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide
PubChem CID55883007
Molecular FormulaC19H22INO4
Molecular Weight455.29 g/mol
Exact Mass455.06
IUPAC NameN-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(I)cc2C)c(OC)c1OC
InChIInChI=1S/C19H22INO4/c1-12-11-14(20)7-8-15(12)21-17(22)10-6-13-5-9-16(23-2)19(25-4)18(13)24-3/h5,7-9,11H,6,10H2,1-4H3,(H,21,22)
InChIKeyGFFYYFAKPCVDHO-UHFFFAOYSA-N
XLogP4.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.29
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(4-iodo-2-methylanilino)-4-oxobutanoate
CID 683994
N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119440825
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55904497
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870487
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789502
3-(4-butoxy-3-ethoxyphenyl)-N-(4-iodo-2-methylphenyl)propanamide
CID 2071824
4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide
CID 55909549
N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119630582
N-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 95383426
N-(4-iodo-2-methylphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 26054584

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide (CID 55883007) is N-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(I)cc2C)c(OC)c1OC.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The InChIKey is GFFYYFAKPCVDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22INO4/c1-12-11-14(20)7-8-15(12)21-17(22)10-6-13-5-9-16(23-2)19(25-4)18(13)24-3/h5,7-9,11H,6,10H2,1-4H3,(H,21,22).
What are the key properties of N-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide?
N-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide has a molecular weight of 455.29 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-3-(2,3,4-trimethoxyphenyl)propanamide is sourced from PubChem (CID 55883007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).