2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide

C28H33N3O2 — CID 76569012

IUPAC2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide
SMILESCc1ccc(CCN(C(=O)C(NC(=O)C(C)N)c2ccccc2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C28H33N3O2/c1-19-10-13-23(14-11-19)16-17-31(25-15-12-20(2)21(3)18-25)28(33)26(30-27(32)22(4)29)24-8-6-5-7-9-24/h5-15,18,22,26H,16-17,29H2,1-4H3,(H,30,32)
InChIKeyCBQILPVKXMKUBP-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.39
Rot. Bonds8

About 2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide

2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide (PubChem CID 76569012) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide
PubChem CID76569012
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide
SMILESCc1ccc(CCN(C(=O)C(NC(=O)C(C)N)c2ccccc2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C28H33N3O2/c1-19-10-13-23(14-11-19)16-17-31(25-15-12-20(2)21(3)18-25)28(33)26(30-27(32)22(4)29)24-8-6-5-7-9-24/h5-15,18,22,26H,16-17,29H2,1-4H3,(H,30,32)
InChIKeyCBQILPVKXMKUBP-UHFFFAOYSA-N
XLogP4.39
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide?
The IUPAC name of 2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide (CID 76569012) is 2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide?
The canonical SMILES for 2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide is Cc1ccc(CCN(C(=O)C(NC(=O)C(C)N)c2ccccc2)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide?
The InChIKey is CBQILPVKXMKUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-19-10-13-23(14-11-19)16-17-31(25-15-12-20(2)21(3)18-25)28(33)26(30-27(32)22(4)29)24-8-6-5-7-9-24/h5-15,18,22,26H,16-17,29H2,1-4H3,(H,30,32).
What are the key properties of 2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide?
2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide has a molecular weight of 443.59 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide is sourced from PubChem (CID 76569012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).