N-butyl-N,3,5-trimethyladamantane-1-carboxamide

C18H31NO — CID 112771455

IUPACN-butyl-N,3,5-trimethyladamantane-1-carboxamide
SMILESCCCCN(C)C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H31NO/c1-5-6-7-19(4)15(20)18-10-14-8-16(2,12-18)11-17(3,9-14)13-18/h14H,5-13H2,1-4H3
InChIKeyKBPMQMJLDAFGAD-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.24
Rot. Bonds4

About N-butyl-N,3,5-trimethyladamantane-1-carboxamide

N-butyl-N,3,5-trimethyladamantane-1-carboxamide (PubChem CID 112771455) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-butyl-N,3,5-trimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N,3,5-trimethyladamantane-1-carboxamide
PubChem CID112771455
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-butyl-N,3,5-trimethyladamantane-1-carboxamide
SMILESCCCCN(C)C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H31NO/c1-5-6-7-19(4)15(20)18-10-14-8-16(2,12-18)11-17(3,9-14)13-18/h14H,5-13H2,1-4H3
InChIKeyKBPMQMJLDAFGAD-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)adamantane-1-carboxamide
CID 119454576
N-(5-chloropentyl)-N,3-dimethyladamantane-1-carboxamide
CID 107205563
N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide
CID 17021574
(3R,5R)-N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide
CID 98331375
N,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide
CID 46997946
(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide
CID 98075814
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide
CID 4776846
N-butyl-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119672323
N-butyl-N-methyl-2-piperidin-4-ylacetamide
CID 24710322
1-(3-methyl-1-adamantyl)nonan-1-one
CID 114966838
(3R,5S)-3,5-dimethyl-N-prop-2-enyladamantane-1-carboxamide
CID 97170508
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide
CID 79998676

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,3,5-trimethyladamantane-1-carboxamide?
The IUPAC name of N-butyl-N,3,5-trimethyladamantane-1-carboxamide (CID 112771455) is N-butyl-N,3,5-trimethyladamantane-1-carboxamide.
What is the SMILES notation for N-butyl-N,3,5-trimethyladamantane-1-carboxamide?
The canonical SMILES for N-butyl-N,3,5-trimethyladamantane-1-carboxamide is CCCCN(C)C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N-butyl-N,3,5-trimethyladamantane-1-carboxamide?
The InChIKey is KBPMQMJLDAFGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-6-7-19(4)15(20)18-10-14-8-16(2,12-18)11-17(3,9-14)13-18/h14H,5-13H2,1-4H3.
What are the key properties of N-butyl-N,3,5-trimethyladamantane-1-carboxamide?
N-butyl-N,3,5-trimethyladamantane-1-carboxamide has a molecular weight of 277.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,3,5-trimethyladamantane-1-carboxamide is sourced from PubChem (CID 112771455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).