N-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide

C22H30N2O2 — CID 55546131

IUPACN-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C22H30N2O2/c1-13(2)7-20(25)23-18-3-5-19(6-4-18)24-22(26)21-16-9-14-8-15(11-16)12-17(21)10-14/h3-6,13-17,21H,7-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNKTJHYSJJROVCH-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.68
Rot. Bonds5

About N-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide

N-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide (PubChem CID 55546131) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide
PubChem CID55546131
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C22H30N2O2/c1-13(2)7-20(25)23-18-3-5-19(6-4-18)24-22(26)21-16-9-14-8-15(11-16)12-17(21)10-14/h3-6,13-17,21H,7-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNKTJHYSJJROVCH-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide 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-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] adamantane-2-carboxylate
CID 8519422
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
(1R,2S,4S)-N-[4-(3-methylbutanoylamino)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98273326
N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide
CID 30753597
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide
CID 42944699
N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 60727380
N-(4-bromo-3-methylphenyl)adamantane-2-carboxamide
CID 78910053
(2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide
CID 119703600
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
(2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119703628

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide?
The IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide (CID 55546131) is N-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide.
What is the SMILES notation for N-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide?
The canonical SMILES for N-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide is CC(C)CC(=O)Nc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide?
The InChIKey is NKTJHYSJJROVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-13(2)7-20(25)23-18-3-5-19(6-4-18)24-22(26)21-16-9-14-8-15(11-16)12-17(21)10-14/h3-6,13-17,21H,7-12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide?
N-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide has a molecular weight of 354.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide is sourced from PubChem (CID 55546131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).