3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide

C21H29NO — CID 2882129

IUPAC3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide
SMILESCc1ccc(C23CC4CC(CC(C(=O)NC(C)C)(C4)C2)C3)cc1
InChIInChI=1S/C21H29NO/c1-14(2)22-19(23)21-11-16-8-17(12-21)10-20(9-16,13-21)18-6-4-15(3)5-7-18/h4-7,14,16-17H,8-13H2,1-3H3,(H,22,23)
InChIKeyFTYKJOBQOANJJP-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.36
Rot. Bonds3

About 3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide

3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide (PubChem CID 2882129) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide
PubChem CID2882129
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide
SMILESCc1ccc(C23CC4CC(CC(C(=O)NC(C)C)(C4)C2)C3)cc1
InChIInChI=1S/C21H29NO/c1-14(2)22-19(23)21-11-16-8-17(12-21)10-20(9-16,13-21)18-6-4-15(3)5-7-18/h4-7,14,16-17H,8-13H2,1-3H3,(H,22,23)
InChIKeyFTYKJOBQOANJJP-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide (CID 2882129) is 3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide is Cc1ccc(C23CC4CC(CC(C(=O)NC(C)C)(C4)C2)C3)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide?
The InChIKey is FTYKJOBQOANJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-14(2)22-19(23)21-11-16-8-17(12-21)10-20(9-16,13-21)18-6-4-15(3)5-7-18/h4-7,14,16-17H,8-13H2,1-3H3,(H,22,23).
What are the key properties of 3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide?
3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide is sourced from PubChem (CID 2882129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).