N-methyl-2-[2-[(2,4,4-trimethylcyclohexyl)amino]phenyl]acetamide

C18H28N2O — CID 81302728

IUPACN-methyl-2-[2-[(2,4,4-trimethylcyclohexyl)amino]phenyl]acetamide
SMILESCNC(=O)Cc1ccccc1NC1CCC(C)(C)CC1C
InChIInChI=1S/C18H28N2O/c1-13-12-18(2,3)10-9-15(13)20-16-8-6-5-7-14(16)11-17(21)19-4/h5-8,13,15,20H,9-12H2,1-4H3,(H,19,21)
InChIKeyGWCPKKQFANIKIP-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.60
Rot. Bonds4

About N-methyl-2-[2-[(2,4,4-trimethylcyclohexyl)amino]phenyl]acetamide

N-methyl-2-[2-[(2,4,4-trimethylcyclohexyl)amino]phenyl]acetamide (PubChem CID 81302728) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-methyl-2-[2-[(2,4,4-trimethylcyclohexyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[(2,4,4-trimethylcyclohexyl)amino]phenyl]acetamide
PubChem CID81302728
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-methyl-2-[2-[(2,4,4-trimethylcyclohexyl)amino]phenyl]acetamide
SMILESCNC(=O)Cc1ccccc1NC1CCC(C)(C)CC1C
InChIInChI=1S/C18H28N2O/c1-13-12-18(2,3)10-9-15(13)20-16-8-6-5-7-14(16)11-17(21)19-4/h5-8,13,15,20H,9-12H2,1-4H3,(H,19,21)
InChIKeyGWCPKKQFANIKIP-UHFFFAOYSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[(2,4,4-trimethylcyclohexyl)amino]phenyl]acetamide?
The IUPAC name of N-methyl-2-[2-[(2,4,4-trimethylcyclohexyl)amino]phenyl]acetamide (CID 81302728) is N-methyl-2-[2-[(2,4,4-trimethylcyclohexyl)amino]phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[2-[(2,4,4-trimethylcyclohexyl)amino]phenyl]acetamide?
The canonical SMILES for N-methyl-2-[2-[(2,4,4-trimethylcyclohexyl)amino]phenyl]acetamide is CNC(=O)Cc1ccccc1NC1CCC(C)(C)CC1C.
What is the InChIKey of N-methyl-2-[2-[(2,4,4-trimethylcyclohexyl)amino]phenyl]acetamide?
The InChIKey is GWCPKKQFANIKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-12-18(2,3)10-9-15(13)20-16-8-6-5-7-14(16)11-17(21)19-4/h5-8,13,15,20H,9-12H2,1-4H3,(H,19,21).
What are the key properties of N-methyl-2-[2-[(2,4,4-trimethylcyclohexyl)amino]phenyl]acetamide?
N-methyl-2-[2-[(2,4,4-trimethylcyclohexyl)amino]phenyl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[(2,4,4-trimethylcyclohexyl)amino]phenyl]acetamide is sourced from PubChem (CID 81302728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).