N-phenyl-N-propan-2-yladamantane-1-carboxamide

C20H27NO — CID 20800672

IUPACN-phenyl-N-propan-2-yladamantane-1-carboxamide
SMILESCC(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C20H27NO/c1-14(2)21(18-6-4-3-5-7-18)19(22)20-11-15-8-16(12-20)10-17(9-15)13-20/h3-7,14-17H,8-13H2,1-2H3
InChIKeyGRFIKDFIINKEDR-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.64
Rot. Bonds3

About N-phenyl-N-propan-2-yladamantane-1-carboxamide

N-phenyl-N-propan-2-yladamantane-1-carboxamide (PubChem CID 20800672) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-phenyl-N-propan-2-yladamantane-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-N-propan-2-yladamantane-1-carboxamide
PubChem CID20800672
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-phenyl-N-propan-2-yladamantane-1-carboxamide
SMILESCC(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C20H27NO/c1-14(2)21(18-6-4-3-5-7-18)19(22)20-11-15-8-16(12-20)10-17(9-15)13-20/h3-7,14-17H,8-13H2,1-2H3
InChIKeyGRFIKDFIINKEDR-UHFFFAOYSA-N
XLogP4.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide
CID 19243040
N-[2-[adamantane-1-carbonyl(1-adamantyl)amino]phenyl]-N-(1-adamantyl)adamantane-1-carboxamide
CID 171577021
N-[(1,1-dioxo-2,5-dihydrothiophen-3-yl)methyl]-N-phenyladamantane-1-carboxamide
CID 4686994
3-(1-adamantyl)-2-methyl-3-phenylprop-2-enoic acid
CID 68789532
3-hydroxy-1-phenyl-1-propan-2-ylurea
CID 22717691
tert-butyl N-(1-adamantyl)-N-phenylcarbamate
CID 135063861
2-(aminomethyl)-N-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 20976537
adamantane-1-carboxylic acid;benzamide
CID 175381809
[2-(N-methylanilino)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate
CID 8888484
bis(adamantane-1-carboxylic acid);iodobenzene
CID 175091348
propan-2-yl N-phenyl-N-propan-2-ylcarbamate
CID 71384721
N,N-bis(2-methylpropyl)adamantane-1-carboxamide
CID 5210533

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-propan-2-yladamantane-1-carboxamide?
The IUPAC name of N-phenyl-N-propan-2-yladamantane-1-carboxamide (CID 20800672) is N-phenyl-N-propan-2-yladamantane-1-carboxamide.
What is the SMILES notation for N-phenyl-N-propan-2-yladamantane-1-carboxamide?
The canonical SMILES for N-phenyl-N-propan-2-yladamantane-1-carboxamide is CC(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of N-phenyl-N-propan-2-yladamantane-1-carboxamide?
The InChIKey is GRFIKDFIINKEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-14(2)21(18-6-4-3-5-7-18)19(22)20-11-15-8-16(12-20)10-17(9-15)13-20/h3-7,14-17H,8-13H2,1-2H3.
What are the key properties of N-phenyl-N-propan-2-yladamantane-1-carboxamide?
N-phenyl-N-propan-2-yladamantane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-propan-2-yladamantane-1-carboxamide is sourced from PubChem (CID 20800672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).