4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide

C21H27N3O2 — CID 17180551

IUPAC4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide
SMILESO=C(Nc1ccc(C(=O)NC2CC2)cc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27N3O2/c25-19(22-17-5-6-17)16-1-3-18(4-2-16)23-20(26)24-21-10-13-7-14(11-21)9-15(8-13)12-21/h1-4,13-15,17H,5-12H2,(H,22,25)(H2,23,24,26)
InChIKeyBQVHOQJMJAXAAT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.67
Rot. Bonds4

About 4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide

4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide (PubChem CID 17180551) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide
PubChem CID17180551
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide
SMILESO=C(Nc1ccc(C(=O)NC2CC2)cc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27N3O2/c25-19(22-17-5-6-17)16-1-3-18(4-2-16)23-20(26)24-21-10-13-7-14(11-21)9-15(8-13)12-21/h1-4,13-15,17H,5-12H2,(H,22,25)(H2,23,24,26)
InChIKeyBQVHOQJMJAXAAT-UHFFFAOYSA-N
XLogP3.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-adamantylcarbamoylamino)-N-propylbenzamide
CID 17180776
4-(1-adamantylcarbamoylamino)benzamide
CID 108896054
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-(1-adamantyl)-3-(4-tert-butylphenyl)urea
CID 108884866
4-acetamido-N-(1-adamantyl)benzamide
CID 7732501
1-(1-adamantyl)-3-cyclopropylurea
CID 3128946
pentyl 4-(1-adamantylcarbamoylamino)benzoate
CID 11338104
1-(1-adamantyl)-3-[4-(2-oxopropyl)phenyl]urea
CID 71595179
1-(1-adamantyl)-3-[4-(diaminomethylideneamino)phenyl]urea
CID 22141500
4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 24945764
3-[4-(1-adamantylcarbamoylamino)phenyl]propanoic acid
CID 11595336
1-(1-adamantyl)-3-[4-(4-aminophenyl)sulfonylphenyl]urea
CID 71602795

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide?
The IUPAC name of 4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide (CID 17180551) is 4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide.
What is the SMILES notation for 4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide?
The canonical SMILES for 4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide is O=C(Nc1ccc(C(=O)NC2CC2)cc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide?
The InChIKey is BQVHOQJMJAXAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-19(22-17-5-6-17)16-1-3-18(4-2-16)23-20(26)24-21-10-13-7-14(11-21)9-15(8-13)12-21/h1-4,13-15,17H,5-12H2,(H,22,25)(H2,23,24,26).
What are the key properties of 4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide?
4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide has a molecular weight of 353.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide is sourced from PubChem (CID 17180551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).