4-(1-adamantylmethylcarbamoylamino)benzamide

C19H25N3O2 — CID 108870439

IUPAC4-(1-adamantylmethylcarbamoylamino)benzamide
SMILESNC(=O)c1ccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H25N3O2/c20-17(23)15-1-3-16(4-2-15)22-18(24)21-11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H2,20,23)(H2,21,22,24)
InChIKeyOFBMJUHLWOWYHC-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.12
Rot. Bonds4

About 4-(1-adamantylmethylcarbamoylamino)benzamide

4-(1-adamantylmethylcarbamoylamino)benzamide (PubChem CID 108870439) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(1-adamantylmethylcarbamoylamino)benzamide.

Molecular Properties

Compound Name4-(1-adamantylmethylcarbamoylamino)benzamide
PubChem CID108870439
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-(1-adamantylmethylcarbamoylamino)benzamide
SMILESNC(=O)c1ccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H25N3O2/c20-17(23)15-1-3-16(4-2-15)22-18(24)21-11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H2,20,23)(H2,21,22,24)
InChIKeyOFBMJUHLWOWYHC-UHFFFAOYSA-N
XLogP3.12
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(1-adamantylmethylcarbamoylamino)benzoate
CID 2926457
1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea
CID 108870369
4-(1-adamantylcarbamoylamino)benzamide
CID 108896054
1-(1-adamantylmethyl)-3-(4-cyanophenyl)urea
CID 108870350
4-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]benzamide
CID 2370309
4-(1-adamantylmethylsulfamoyl)benzamide
CID 86911830
1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451138
1-(1-adamantylmethyl)-3-[3-(dimethylamino)phenyl]urea
CID 108870422
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190927
N-[1-(4-carbamoylanilino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 46522993
4-[[(2R)-2-(1-adamantylamino)propanoyl]amino]benzamide
CID 9358575
4-[(phenylcarbamoylamino)methyl]benzamide
CID 47118035

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylmethylcarbamoylamino)benzamide?
The IUPAC name of 4-(1-adamantylmethylcarbamoylamino)benzamide (CID 108870439) is 4-(1-adamantylmethylcarbamoylamino)benzamide.
What is the SMILES notation for 4-(1-adamantylmethylcarbamoylamino)benzamide?
The canonical SMILES for 4-(1-adamantylmethylcarbamoylamino)benzamide is NC(=O)c1ccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 4-(1-adamantylmethylcarbamoylamino)benzamide?
The InChIKey is OFBMJUHLWOWYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c20-17(23)15-1-3-16(4-2-15)22-18(24)21-11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H2,20,23)(H2,21,22,24).
What are the key properties of 4-(1-adamantylmethylcarbamoylamino)benzamide?
4-(1-adamantylmethylcarbamoylamino)benzamide has a molecular weight of 327.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylmethylcarbamoylamino)benzamide is sourced from PubChem (CID 108870439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).