N'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide

C19H30N2O3 — CID 3979942

IUPACN'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide
SMILESO=C(CCC(=O)NC12CC3CC(CC(C3)C1)C2)NCC1CCCO1
InChIInChI=1S/C19H30N2O3/c22-17(20-12-16-2-1-5-24-16)3-4-18(23)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16H,1-12H2,(H,20,22)(H,21,23)
InChIKeyWAVFBLWEZNXRCG-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.15
Rot. Bonds6

About N'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide

N'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide (PubChem CID 3979942) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide.

Molecular Properties

Compound NameN'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide
PubChem CID3979942
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide
SMILESO=C(CCC(=O)NC12CC3CC(CC(C3)C1)C2)NCC1CCCO1
InChIInChI=1S/C19H30N2O3/c22-17(20-12-16-2-1-5-24-16)3-4-18(23)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16H,1-12H2,(H,20,22)(H,21,23)
InChIKeyWAVFBLWEZNXRCG-UHFFFAOYSA-N
XLogP2.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 46798188
2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide
CID 6457745
N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide
CID 7079712
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] adamantane-1-carboxylate
CID 5213454
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide
CID 51362590
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
6-(oxan-2-ylmethylamino)-6-oxohexanoic acid
CID 55014045
N-(oxolan-2-ylmethylcarbamothioyl)adamantane-1-carboxamide
CID 54787534
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505

Frequently Asked Questions

What is the IUPAC name of N'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide?
The IUPAC name of N'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide (CID 3979942) is N'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide.
What is the SMILES notation for N'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide?
The canonical SMILES for N'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide is O=C(CCC(=O)NC12CC3CC(CC(C3)C1)C2)NCC1CCCO1.
What is the InChIKey of N'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide?
The InChIKey is WAVFBLWEZNXRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c22-17(20-12-16-2-1-5-24-16)3-4-18(23)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16H,1-12H2,(H,20,22)(H,21,23).
What are the key properties of N'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide?
N'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide has a molecular weight of 334.46 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide is sourced from PubChem (CID 3979942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).