N-(3,5,7-trimethyl-1-adamantyl)pyrrolidine-1-carboxamide

C18H30N2O — CID 2928840

IUPACN-(3,5,7-trimethyl-1-adamantyl)pyrrolidine-1-carboxamide
SMILESCC12CC3(C)CC(C)(C1)CC(NC(=O)N1CCCC1)(C2)C3
InChIInChI=1S/C18H30N2O/c1-15-8-16(2)10-17(3,9-15)13-18(11-15,12-16)19-14(21)20-6-4-5-7-20/h4-13H2,1-3H3,(H,19,21)
InChIKeyIYHMIMHTYZCMKJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.93
Rot. Bonds1

About N-(3,5,7-trimethyl-1-adamantyl)pyrrolidine-1-carboxamide

N-(3,5,7-trimethyl-1-adamantyl)pyrrolidine-1-carboxamide (PubChem CID 2928840) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(3,5,7-trimethyl-1-adamantyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5,7-trimethyl-1-adamantyl)pyrrolidine-1-carboxamide
PubChem CID2928840
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(3,5,7-trimethyl-1-adamantyl)pyrrolidine-1-carboxamide
SMILESCC12CC3(C)CC(C)(C1)CC(NC(=O)N1CCCC1)(C2)C3
InChIInChI=1S/C18H30N2O/c1-15-8-16(2)10-17(3,9-15)13-18(11-15,12-16)19-14(21)20-6-4-5-7-20/h4-13H2,1-3H3,(H,19,21)
InChIKeyIYHMIMHTYZCMKJ-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,5,7-trimethyl-1-adamantyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,5,7-trimethyl-1-adamantyl)pyrrolidine-1-carboxamide (CID 2928840) is N-(3,5,7-trimethyl-1-adamantyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,5,7-trimethyl-1-adamantyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,5,7-trimethyl-1-adamantyl)pyrrolidine-1-carboxamide is CC12CC3(C)CC(C)(C1)CC(NC(=O)N1CCCC1)(C2)C3.
What is the InChIKey of N-(3,5,7-trimethyl-1-adamantyl)pyrrolidine-1-carboxamide?
The InChIKey is IYHMIMHTYZCMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15-8-16(2)10-17(3,9-15)13-18(11-15,12-16)19-14(21)20-6-4-5-7-20/h4-13H2,1-3H3,(H,19,21).
What are the key properties of N-(3,5,7-trimethyl-1-adamantyl)pyrrolidine-1-carboxamide?
N-(3,5,7-trimethyl-1-adamantyl)pyrrolidine-1-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5,7-trimethyl-1-adamantyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 2928840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).