[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium

C23H33N2O3+ — CID 8922979

IUPAC[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
SMILESCOc1ccc(NC(=O)C[NH2+][C@H](c2ccc(C(C)C)cc2)C(C)C)cc1OC
InChIInChI=1S/C23H32N2O3/c1-15(2)17-7-9-18(10-8-17)23(16(3)4)24-14-22(26)25-19-11-12-20(27-5)21(13-19)28-6/h7-13,15-16,23-24H,14H2,1-6H3,(H,25,26)/p+1/t23-/m0/s1
InChIKeyYSCKAAHYCQPOGR-QHCPKHFHSA-O
MW385.53 g/mol
LogP3.73
Rot. Bonds9

About [2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium

[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium (PubChem CID 8922979) has the molecular formula C23H33N2O3+ and a molecular weight of 385.53 g/mol. Its IUPAC name is [2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium.

Molecular Properties

Compound Name[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
PubChem CID8922979
Molecular FormulaC23H33N2O3+
Molecular Weight385.53 g/mol
Exact Mass385.25
IUPAC Name[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
SMILESCOc1ccc(NC(=O)C[NH2+][C@H](c2ccc(C(C)C)cc2)C(C)C)cc1OC
InChIInChI=1S/C23H32N2O3/c1-15(2)17-7-9-18(10-8-17)23(16(3)4)24-14-22(26)25-19-11-12-20(27-5)21(13-19)28-6/h7-13,15-16,23-24H,14H2,1-6H3,(H,25,26)/p+1/t23-/m0/s1
InChIKeyYSCKAAHYCQPOGR-QHCPKHFHSA-O
XLogP3.73
TPSA64.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
CID 8997999
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium
CID 8834662
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
CID 8996261
[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9133344
[2-(methoxycarbonylamino)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923649
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131715
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397393
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923109
[2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131730
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923105

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium?
The IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium (CID 8922979) is [2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium.
What is the SMILES notation for [2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium?
The canonical SMILES for [2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium is COc1ccc(NC(=O)C[NH2+][C@H](c2ccc(C(C)C)cc2)C(C)C)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium?
The InChIKey is YSCKAAHYCQPOGR-QHCPKHFHSA-O. The full InChI is InChI=1S/C23H32N2O3/c1-15(2)17-7-9-18(10-8-17)23(16(3)4)24-14-22(26)25-19-11-12-20(27-5)21(13-19)28-6/h7-13,15-16,23-24H,14H2,1-6H3,(H,25,26)/p+1/t23-/m0/s1.
What are the key properties of [2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium?
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium has a molecular weight of 385.53 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium is sourced from PubChem (CID 8922979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).