N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide

C23H36N2O2 — CID 16557386

IUPACN-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCC(NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC2CCC1C2
InChIInChI=1S/C23H36N2O2/c1-14(20-10-15-2-3-19(20)9-15)25-21(26)4-5-24-22(27)23-11-16-6-17(12-23)8-18(7-16)13-23/h14-20H,2-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyLNOCKXMAXPWDEM-UHFFFAOYSA-N
MW372.55 g/mol
LogP3.65
Rot. Bonds6

About N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 16557386) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID16557386
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC NameN-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCC(NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC2CCC1C2
InChIInChI=1S/C23H36N2O2/c1-14(20-10-15-2-3-19(20)9-15)25-21(26)4-5-24-22(27)23-11-16-6-17(12-23)8-18(7-16)13-23/h14-20H,2-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyLNOCKXMAXPWDEM-UHFFFAOYSA-N
XLogP3.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide (CID 16557386) is N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide is CC(NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)C1CC2CCC1C2.
What is the InChIKey of N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is LNOCKXMAXPWDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-14(20-10-15-2-3-19(20)9-15)25-21(26)4-5-24-22(27)23-11-16-6-17(12-23)8-18(7-16)13-23/h14-20H,2-13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 372.55 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 16557386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).