N-(1-adamantylcarbamoyl)-4-aminobenzamide

C18H23N3O2 — CID 108896053

IUPACN-(1-adamantylcarbamoyl)-4-aminobenzamide
SMILESNc1ccc(C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23N3O2/c19-15-3-1-14(2-4-15)16(22)20-17(23)21-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10,19H2,(H2,20,21,22,23)
InChIKeyPUZQEUPQJVQSOP-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.68
Rot. Bonds2

About N-(1-adamantylcarbamoyl)-4-aminobenzamide

N-(1-adamantylcarbamoyl)-4-aminobenzamide (PubChem CID 108896053) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-4-aminobenzamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-4-aminobenzamide
PubChem CID108896053
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(1-adamantylcarbamoyl)-4-aminobenzamide
SMILESNc1ccc(C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23N3O2/c19-15-3-1-14(2-4-15)16(22)20-17(23)21-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10,19H2,(H2,20,21,22,23)
InChIKeyPUZQEUPQJVQSOP-UHFFFAOYSA-N
XLogP2.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(1-adamantylamino)-2-oxoethyl] 4-aminobenzoate
CID 4648812
N-(1-adamantyl)-4-sulfanylbenzamide
CID 107019898
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
1-N,3-N-bis(1-adamantyl)-5-aminobenzene-1,3-dicarboxamide
CID 57309710
N-(1-adamantyl)-4-(aminomethyl)benzamide;hydrochloride
CID 119261555
1-(1-adamantyl)-3-[4-(4-aminophenyl)sulfonylphenyl]urea
CID 71602795
4-(1-adamantylcarbamoylamino)benzamide
CID 108896054
N-[1-(1-adamantyl)ethyl]-N'-(4-aminobenzoyl)oxamide
CID 108509154
4-acetamido-N-(1-adamantyl)benzamide
CID 7732501
N-(1-adamantyl)-5-aminopyridine-2-carboxamide
CID 81309951
4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide
CID 17180551
N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide
CID 9071087

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-4-aminobenzamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-4-aminobenzamide (CID 108896053) is N-(1-adamantylcarbamoyl)-4-aminobenzamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-4-aminobenzamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-4-aminobenzamide is Nc1ccc(C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantylcarbamoyl)-4-aminobenzamide?
The InChIKey is PUZQEUPQJVQSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-15-3-1-14(2-4-15)16(22)20-17(23)21-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10,19H2,(H2,20,21,22,23).
What are the key properties of N-(1-adamantylcarbamoyl)-4-aminobenzamide?
N-(1-adamantylcarbamoyl)-4-aminobenzamide has a molecular weight of 313.40 g/mol, XLogP of 2.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-4-aminobenzamide is sourced from PubChem (CID 108896053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).