N,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide

C19H32N2O2 — CID 46997946

IUPACN,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide
SMILESCNC(=O)CC(C)N(C)C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H32N2O2/c1-13(6-15(22)20-4)21(5)16(23)19-9-14-7-17(2,11-19)10-18(3,8-14)12-19/h13-14H,6-12H2,1-5H3,(H,20,22)
InChIKeyKRKWSNYRQANBTL-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.97
Rot. Bonds4

About N,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide

N,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide (PubChem CID 46997946) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide
PubChem CID46997946
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide
SMILESCNC(=O)CC(C)N(C)C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H32N2O2/c1-13(6-15(22)20-4)21(5)16(23)19-9-14-7-17(2,11-19)10-18(3,8-14)12-19/h13-14H,6-12H2,1-5H3,(H,20,22)
InChIKeyKRKWSNYRQANBTL-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N,3,5-trimethyladamantane-1-carboxamide
CID 112771455
(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide
CID 92532292
2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide
CID 79986924
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide
CID 79998676
N'-ethyl-3,5-dimethyladamantane-1-carboximidamide
CID 79986725
(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide
CID 98075814
N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide
CID 119454576
N-(4-aminobutan-2-yl)-3,5-dimethyladamantane-1-carboxamide
CID 79998668
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide
CID 103919782
N-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide
CID 115700827
(2R)-2-[(3,5-dimethyladamantane-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 80752979
3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride
CID 119430118

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide (CID 46997946) is N,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide is CNC(=O)CC(C)N(C)C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide?
The InChIKey is KRKWSNYRQANBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-13(6-15(22)20-4)21(5)16(23)19-9-14-7-17(2,11-19)10-18(3,8-14)12-19/h13-14H,6-12H2,1-5H3,(H,20,22).
What are the key properties of N,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide?
N,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 46997946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).