N-(5-carbamoyl-2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide

C21H33N3O3 — CID 45272366

IUPACN-(5-carbamoyl-2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide
SMILESCC(C)(CC(=O)NC1CC1)CC(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2
InChIInChI=1S/C21H33N3O3/c1-20(2,10-16(25)23-15-3-4-15)11-17(26)24-18-13-5-12-6-14(18)9-21(7-12,8-13)19(22)27/h12-15,18H,3-11H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)
InChIKeyVLDUQTLOJSSOIR-UHFFFAOYSA-N
MW375.51 g/mol
LogP1.87
Rot. Bonds7

About N-(5-carbamoyl-2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide

N-(5-carbamoyl-2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide (PubChem CID 45272366) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-(5-carbamoyl-2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide
PubChem CID45272366
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-(5-carbamoyl-2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide
SMILESCC(C)(CC(=O)NC1CC1)CC(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2
InChIInChI=1S/C21H33N3O3/c1-20(2,10-16(25)23-15-3-4-15)11-17(26)24-18-13-5-12-6-14(18)9-21(7-12,8-13)19(22)27/h12-15,18H,3-11H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)
InChIKeyVLDUQTLOJSSOIR-UHFFFAOYSA-N
XLogP1.87
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide?
The IUPAC name of N-(5-carbamoyl-2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide (CID 45272366) is N-(5-carbamoyl-2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide.
What is the SMILES notation for N-(5-carbamoyl-2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide?
The canonical SMILES for N-(5-carbamoyl-2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide is CC(C)(CC(=O)NC1CC1)CC(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2.
What is the InChIKey of N-(5-carbamoyl-2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide?
The InChIKey is VLDUQTLOJSSOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-20(2,10-16(25)23-15-3-4-15)11-17(26)24-18-13-5-12-6-14(18)9-21(7-12,8-13)19(22)27/h12-15,18H,3-11H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26).
What are the key properties of N-(5-carbamoyl-2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide?
N-(5-carbamoyl-2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide has a molecular weight of 375.51 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-adamantyl)-N'-cyclopropyl-3,3-dimethylpentanediamide is sourced from PubChem (CID 45272366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).