N-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide

C20H26N2O2 — CID 51339061

IUPACN-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)C2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C20H26N2O2/c1-22(2)20(24)14-4-3-5-17(11-14)21-19(23)18-15-7-12-6-13(9-15)10-16(18)8-12/h3-5,11-13,15-16,18H,6-10H2,1-2H3,(H,21,23)
InChIKeyQNBBIKNJBYFCSD-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.40
Rot. Bonds3

About N-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide

N-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide (PubChem CID 51339061) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide
PubChem CID51339061
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)C2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C20H26N2O2/c1-22(2)20(24)14-4-3-5-17(11-14)21-19(23)18-15-7-12-6-13(9-15)10-16(18)8-12/h3-5,11-13,15-16,18H,6-10H2,1-2H3,(H,21,23)
InChIKeyQNBBIKNJBYFCSD-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide
CID 51241953
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797
N-[3-(dimethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43709947
N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55148926
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 33249573
N-[[4-[[3-(dimethylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 32627059
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556995

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide (CID 51339061) is N-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide is CN(C)C(=O)c1cccc(NC(=O)C2C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide?
The InChIKey is QNBBIKNJBYFCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-22(2)20(24)14-4-3-5-17(11-14)21-19(23)18-15-7-12-6-13(9-15)10-16(18)8-12/h3-5,11-13,15-16,18H,6-10H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide?
N-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]adamantane-2-carboxamide is sourced from PubChem (CID 51339061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).