N-methyl-N-(3-phenylpropyl)adamantane-1-carboxamide

C21H29NO — CID 51355170

IUPACN-methyl-N-(3-phenylpropyl)adamantane-1-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29NO/c1-22(9-5-8-16-6-3-2-4-7-16)20(23)21-13-17-10-18(14-21)12-19(11-17)15-21/h2-4,6-7,17-19H,5,8-15H2,1H3
InChIKeyJPFXGFJOZWDHCB-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.29
Rot. Bonds5

About N-methyl-N-(3-phenylpropyl)adamantane-1-carboxamide

N-methyl-N-(3-phenylpropyl)adamantane-1-carboxamide (PubChem CID 51355170) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is N-methyl-N-(3-phenylpropyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-phenylpropyl)adamantane-1-carboxamide
PubChem CID51355170
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC NameN-methyl-N-(3-phenylpropyl)adamantane-1-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29NO/c1-22(9-5-8-16-6-3-2-4-7-16)20(23)21-13-17-10-18(14-21)12-19(11-17)15-21/h2-4,6-7,17-19H,5,8-15H2,1H3
InChIKeyJPFXGFJOZWDHCB-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenylpropyl)adamantane-1-carboxamide?
The IUPAC name of N-methyl-N-(3-phenylpropyl)adamantane-1-carboxamide (CID 51355170) is N-methyl-N-(3-phenylpropyl)adamantane-1-carboxamide.
What is the SMILES notation for N-methyl-N-(3-phenylpropyl)adamantane-1-carboxamide?
The canonical SMILES for N-methyl-N-(3-phenylpropyl)adamantane-1-carboxamide is CN(CCCc1ccccc1)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-methyl-N-(3-phenylpropyl)adamantane-1-carboxamide?
The InChIKey is JPFXGFJOZWDHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-22(9-5-8-16-6-3-2-4-7-16)20(23)21-13-17-10-18(14-21)12-19(11-17)15-21/h2-4,6-7,17-19H,5,8-15H2,1H3.
What are the key properties of N-methyl-N-(3-phenylpropyl)adamantane-1-carboxamide?
N-methyl-N-(3-phenylpropyl)adamantane-1-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenylpropyl)adamantane-1-carboxamide is sourced from PubChem (CID 51355170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).