N,N-bis(2-methylpropyl)adamantane-1-carboxamide

C19H33NO — CID 5210533

IUPACN,N-bis(2-methylpropyl)adamantane-1-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33NO/c1-13(2)11-20(12-14(3)4)18(21)19-8-15-5-16(9-19)7-17(6-15)10-19/h13-17H,5-12H2,1-4H3
InChIKeyQOTCXAWGSYRUEL-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.34
Rot. Bonds5

About N,N-bis(2-methylpropyl)adamantane-1-carboxamide

N,N-bis(2-methylpropyl)adamantane-1-carboxamide (PubChem CID 5210533) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)adamantane-1-carboxamide
PubChem CID5210533
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN,N-bis(2-methylpropyl)adamantane-1-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33NO/c1-13(2)11-20(12-14(3)4)18(21)19-8-15-5-16(9-19)7-17(6-15)10-19/h13-17H,5-12H2,1-4H3
InChIKeyQOTCXAWGSYRUEL-UHFFFAOYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)adamantane-1-carboxamide?
The IUPAC name of N,N-bis(2-methylpropyl)adamantane-1-carboxamide (CID 5210533) is N,N-bis(2-methylpropyl)adamantane-1-carboxamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)adamantane-1-carboxamide?
The canonical SMILES for N,N-bis(2-methylpropyl)adamantane-1-carboxamide is CC(C)CN(CC(C)C)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N,N-bis(2-methylpropyl)adamantane-1-carboxamide?
The InChIKey is QOTCXAWGSYRUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-13(2)11-20(12-14(3)4)18(21)19-8-15-5-16(9-19)7-17(6-15)10-19/h13-17H,5-12H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)adamantane-1-carboxamide?
N,N-bis(2-methylpropyl)adamantane-1-carboxamide has a molecular weight of 291.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)adamantane-1-carboxamide is sourced from PubChem (CID 5210533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).