N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide

C21H28N2O2 — CID 54787349

IUPACN-[4-(butanoylamino)phenyl]adamantane-1-carboxamide
SMILESCCCC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H28N2O2/c1-2-3-19(24)22-17-4-6-18(7-5-17)23-20(25)21-11-14-8-15(12-21)10-16(9-14)13-21/h4-7,14-16H,2-3,8-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyUEAVJMDSZZUOGS-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.58
Rot. Bonds5

About N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide

N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide (PubChem CID 54787349) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(butanoylamino)phenyl]adamantane-1-carboxamide
PubChem CID54787349
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[4-(butanoylamino)phenyl]adamantane-1-carboxamide
SMILESCCCC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H28N2O2/c1-2-3-19(24)22-17-4-6-18(7-5-17)23-20(25)21-11-14-8-15(12-21)10-16(9-14)13-21/h4-7,14-16H,2-3,8-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyUEAVJMDSZZUOGS-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424
N-(4-trimethylsilylphenyl)adamantane-1-carboxamide
CID 171577278
(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 762997
N-(4-formylphenyl)adamantane-1-carboxamide
CID 106912217
N-(4-formamidophenyl)adamantane-1-carboxamide
CID 168653489
N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 4231601
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide
CID 32937893
N'-butanoyladamantane-1-carbohydrazide
CID 24538351
tert-butyl N-[3-[[4-(adamantane-1-carbonylamino)phenyl]methylamino]-3-oxopropyl]carbamate
CID 108920619
4-[[(3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]amino]benzoic acid
CID 6990096
S-[4-[3-(adamantane-1-carbonylamino)propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56529953

Frequently Asked Questions

What is the IUPAC name of N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide (CID 54787349) is N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide is CCCC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide?
The InChIKey is UEAVJMDSZZUOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-2-3-19(24)22-17-4-6-18(7-5-17)23-20(25)21-11-14-8-15(12-21)10-16(9-14)13-21/h4-7,14-16H,2-3,8-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide?
N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 54787349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).