2-[4-(2-methylpropyl)phenyl]-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]propanamide

C21H27N3O2 — CID 129012503

IUPAC2-[4-(2-methylpropyl)phenyl]-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]propanamide
SMILESCc1cccc(NC(=O)CNC(=O)C(C)c2ccc(CC(C)C)cc2)n1
InChIInChI=1S/C21H27N3O2/c1-14(2)12-17-8-10-18(11-9-17)16(4)21(26)22-13-20(25)24-19-7-5-6-15(3)23-19/h5-11,14,16H,12-13H2,1-4H3,(H,22,26)(H,23,24,25)
InChIKeyKIGSUDHCBDDHSS-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.45
Rot. Bonds7

About 2-[4-(2-methylpropyl)phenyl]-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]propanamide

2-[4-(2-methylpropyl)phenyl]-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]propanamide (PubChem CID 129012503) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]propanamide
PubChem CID129012503
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[4-(2-methylpropyl)phenyl]-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]propanamide
SMILESCc1cccc(NC(=O)CNC(=O)C(C)c2ccc(CC(C)C)cc2)n1
InChIInChI=1S/C21H27N3O2/c1-14(2)12-17-8-10-18(11-9-17)16(4)21(26)22-13-20(25)24-19-7-5-6-15(3)23-19/h5-11,14,16H,12-13H2,1-4H3,(H,22,26)(H,23,24,25)
InChIKeyKIGSUDHCBDDHSS-UHFFFAOYSA-N
XLogP3.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]propanamide?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]propanamide (CID 129012503) is 2-[4-(2-methylpropyl)phenyl]-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]propanamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]propanamide?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]propanamide is Cc1cccc(NC(=O)CNC(=O)C(C)c2ccc(CC(C)C)cc2)n1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]propanamide?
The InChIKey is KIGSUDHCBDDHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(2)12-17-8-10-18(11-9-17)16(4)21(26)22-13-20(25)24-19-7-5-6-15(3)23-19/h5-11,14,16H,12-13H2,1-4H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]propanamide?
2-[4-(2-methylpropyl)phenyl]-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 129012503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).