2-(cyclohexylamino)-N-methyl-N-[4-methyl-3-[methyl(propyl)amino]phenyl]acetamide

C20H33N3O — CID 142249975

IUPAC2-(cyclohexylamino)-N-methyl-N-[4-methyl-3-[methyl(propyl)amino]phenyl]acetamide
SMILESCCCN(C)c1cc(N(C)C(=O)CNC2CCCCC2)ccc1C
InChIInChI=1S/C20H33N3O/c1-5-13-22(3)19-14-18(12-11-16(19)2)23(4)20(24)15-21-17-9-7-6-8-10-17/h11-12,14,17,21H,5-10,13,15H2,1-4H3
InChIKeyCFQGIBYBEVPKIO-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.73
Rot. Bonds7

About 2-(cyclohexylamino)-N-methyl-N-[4-methyl-3-[methyl(propyl)amino]phenyl]acetamide

2-(cyclohexylamino)-N-methyl-N-[4-methyl-3-[methyl(propyl)amino]phenyl]acetamide (PubChem CID 142249975) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-methyl-N-[4-methyl-3-[methyl(propyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-methyl-N-[4-methyl-3-[methyl(propyl)amino]phenyl]acetamide
PubChem CID142249975
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name2-(cyclohexylamino)-N-methyl-N-[4-methyl-3-[methyl(propyl)amino]phenyl]acetamide
SMILESCCCN(C)c1cc(N(C)C(=O)CNC2CCCCC2)ccc1C
InChIInChI=1S/C20H33N3O/c1-5-13-22(3)19-14-18(12-11-16(19)2)23(4)20(24)15-21-17-9-7-6-8-10-17/h11-12,14,17,21H,5-10,13,15H2,1-4H3
InChIKeyCFQGIBYBEVPKIO-UHFFFAOYSA-N
XLogP3.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-methyl-N-[4-methyl-3-[methyl(propyl)amino]phenyl]acetamide?
The IUPAC name of 2-(cyclohexylamino)-N-methyl-N-[4-methyl-3-[methyl(propyl)amino]phenyl]acetamide (CID 142249975) is 2-(cyclohexylamino)-N-methyl-N-[4-methyl-3-[methyl(propyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-methyl-N-[4-methyl-3-[methyl(propyl)amino]phenyl]acetamide?
The canonical SMILES for 2-(cyclohexylamino)-N-methyl-N-[4-methyl-3-[methyl(propyl)amino]phenyl]acetamide is CCCN(C)c1cc(N(C)C(=O)CNC2CCCCC2)ccc1C.
What is the InChIKey of 2-(cyclohexylamino)-N-methyl-N-[4-methyl-3-[methyl(propyl)amino]phenyl]acetamide?
The InChIKey is CFQGIBYBEVPKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-5-13-22(3)19-14-18(12-11-16(19)2)23(4)20(24)15-21-17-9-7-6-8-10-17/h11-12,14,17,21H,5-10,13,15H2,1-4H3.
What are the key properties of 2-(cyclohexylamino)-N-methyl-N-[4-methyl-3-[methyl(propyl)amino]phenyl]acetamide?
2-(cyclohexylamino)-N-methyl-N-[4-methyl-3-[methyl(propyl)amino]phenyl]acetamide has a molecular weight of 331.50 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-methyl-N-[4-methyl-3-[methyl(propyl)amino]phenyl]acetamide is sourced from PubChem (CID 142249975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).