4-(1-adamantylcarbamoylamino)-N-propylbenzamide

C21H29N3O2 — CID 17180776

IUPAC4-(1-adamantylcarbamoylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H29N3O2/c1-2-7-22-19(25)17-3-5-18(6-4-17)23-20(26)24-21-11-14-8-15(12-21)10-16(9-14)13-21/h3-6,14-16H,2,7-13H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeySTADPHUJDAEPHU-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.92
Rot. Bonds5

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

4-(1-adamantylcarbamoylamino)-N-propylbenzamide (PubChem CID 17180776) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-(1-adamantylcarbamoylamino)-N-propylbenzamide.

Molecular Properties

Compound Name4-(1-adamantylcarbamoylamino)-N-propylbenzamide
PubChem CID17180776
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name4-(1-adamantylcarbamoylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H29N3O2/c1-2-7-22-19(25)17-3-5-18(6-4-17)23-20(26)24-21-11-14-8-15(12-21)10-16(9-14)13-21/h3-6,14-16H,2,7-13H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeySTADPHUJDAEPHU-UHFFFAOYSA-N
XLogP3.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide
CID 17180551
1-(1-adamantyl)-3-(4-tert-butylphenyl)urea
CID 108884866
4-(1-adamantylcarbamoylamino)benzamide
CID 108896054
4-acetamido-N-(1-adamantyl)benzamide
CID 7732501
1-(1-adamantyl)-3-[4-(2-oxopropyl)phenyl]urea
CID 71595179
pentyl 4-(1-adamantylcarbamoylamino)benzoate
CID 11338104
4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 24945764
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771
4-[[(3S,5R)-3,5-dimethyl-1-adamantyl]carbamoylamino]-N-[9-(hydroxyamino)-9-oxononyl]benzamide
CID 175800776
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-[4-(hydroxyamino)-4-oxobutyl]benzamide
CID 166062740

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylcarbamoylamino)-N-propylbenzamide?
The IUPAC name of 4-(1-adamantylcarbamoylamino)-N-propylbenzamide (CID 17180776) is 4-(1-adamantylcarbamoylamino)-N-propylbenzamide.
What is the SMILES notation for 4-(1-adamantylcarbamoylamino)-N-propylbenzamide?
The canonical SMILES for 4-(1-adamantylcarbamoylamino)-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 4-(1-adamantylcarbamoylamino)-N-propylbenzamide?
The InChIKey is STADPHUJDAEPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-2-7-22-19(25)17-3-5-18(6-4-17)23-20(26)24-21-11-14-8-15(12-21)10-16(9-14)13-21/h3-6,14-16H,2,7-13H2,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of 4-(1-adamantylcarbamoylamino)-N-propylbenzamide?
4-(1-adamantylcarbamoylamino)-N-propylbenzamide has a molecular weight of 355.48 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylcarbamoylamino)-N-propylbenzamide is sourced from PubChem (CID 17180776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).