N-(1-anilino-3-methyl-1-oxobutan-2-yl)adamantane-1-carboxamide

C22H30N2O2 — CID 2983619

IUPACN-(1-anilino-3-methyl-1-oxobutan-2-yl)adamantane-1-carboxamide
SMILESCC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1
InChIInChI=1S/C22H30N2O2/c1-14(2)19(20(25)23-18-6-4-3-5-7-18)24-21(26)22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,14-17,19H,8-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMTNWMDSYESUYRX-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.98
Rot. Bonds5

About N-(1-anilino-3-methyl-1-oxobutan-2-yl)adamantane-1-carboxamide

N-(1-anilino-3-methyl-1-oxobutan-2-yl)adamantane-1-carboxamide (PubChem CID 2983619) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-(1-anilino-3-methyl-1-oxobutan-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-anilino-3-methyl-1-oxobutan-2-yl)adamantane-1-carboxamide
PubChem CID2983619
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-(1-anilino-3-methyl-1-oxobutan-2-yl)adamantane-1-carboxamide
SMILESCC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1
InChIInChI=1S/C22H30N2O2/c1-14(2)19(20(25)23-18-6-4-3-5-7-18)24-21(26)22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,14-17,19H,8-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMTNWMDSYESUYRX-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-anilino-3-methyl-1-oxobutan-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1-anilino-3-methyl-1-oxobutan-2-yl)adamantane-1-carboxamide (CID 2983619) is N-(1-anilino-3-methyl-1-oxobutan-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1-anilino-3-methyl-1-oxobutan-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1-anilino-3-methyl-1-oxobutan-2-yl)adamantane-1-carboxamide is CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1.
What is the InChIKey of N-(1-anilino-3-methyl-1-oxobutan-2-yl)adamantane-1-carboxamide?
The InChIKey is MTNWMDSYESUYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-14(2)19(20(25)23-18-6-4-3-5-7-18)24-21(26)22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,14-17,19H,8-13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(1-anilino-3-methyl-1-oxobutan-2-yl)adamantane-1-carboxamide?
N-(1-anilino-3-methyl-1-oxobutan-2-yl)adamantane-1-carboxamide has a molecular weight of 354.49 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-anilino-3-methyl-1-oxobutan-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 2983619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).