4-(1-adamantylcarbamoylamino)benzamide

C18H23N3O2 — CID 108896054

IUPAC4-(1-adamantylcarbamoylamino)benzamide
SMILESNC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23N3O2/c19-16(22)14-1-3-15(4-2-14)20-17(23)21-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H2,19,22)(H2,20,21,23)
InChIKeyATURVSHCHGODAA-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.88
Rot. Bonds3

About 4-(1-adamantylcarbamoylamino)benzamide

4-(1-adamantylcarbamoylamino)benzamide (PubChem CID 108896054) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(1-adamantylcarbamoylamino)benzamide.

Molecular Properties

Compound Name4-(1-adamantylcarbamoylamino)benzamide
PubChem CID108896054
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-(1-adamantylcarbamoylamino)benzamide
SMILESNC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23N3O2/c19-16(22)14-1-3-15(4-2-14)20-17(23)21-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H2,19,22)(H2,20,21,23)
InChIKeyATURVSHCHGODAA-UHFFFAOYSA-N
XLogP2.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-3-[4-(diaminomethylideneamino)phenyl]urea
CID 22141500
4-(1-adamantylmethylcarbamoylamino)benzamide
CID 108870439
4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide
CID 17180551
1-(1-adamantyl)-3-(4-tert-butylphenyl)urea
CID 108884866
4-(1-adamantylcarbamoylamino)-N-propylbenzamide
CID 17180776
4-[[(2R)-2-(1-adamantylamino)propanoyl]amino]benzamide
CID 9358575
1-(1-adamantyl)-3-[4-(4-aminophenyl)sulfonylphenyl]urea
CID 71602795
pentyl 4-(1-adamantylcarbamoylamino)benzoate
CID 11338104
1-(1-adamantyl)-3-[4-(2-oxopropyl)phenyl]urea
CID 71595179
1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea
CID 62901081
4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 24945764
4-acetamido-N-(1-adamantyl)benzamide
CID 7732501

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylcarbamoylamino)benzamide?
The IUPAC name of 4-(1-adamantylcarbamoylamino)benzamide (CID 108896054) is 4-(1-adamantylcarbamoylamino)benzamide.
What is the SMILES notation for 4-(1-adamantylcarbamoylamino)benzamide?
The canonical SMILES for 4-(1-adamantylcarbamoylamino)benzamide is NC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 4-(1-adamantylcarbamoylamino)benzamide?
The InChIKey is ATURVSHCHGODAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-16(22)14-1-3-15(4-2-14)20-17(23)21-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H2,19,22)(H2,20,21,23).
What are the key properties of 4-(1-adamantylcarbamoylamino)benzamide?
4-(1-adamantylcarbamoylamino)benzamide has a molecular weight of 313.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylcarbamoylamino)benzamide is sourced from PubChem (CID 108896054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).