N-(1-adamantyl)-4-(ethylamino)oxolane-3-carboxamide

C17H28N2O2 — CID 66259609

IUPACN-(1-adamantyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O2/c1-2-18-15-10-21-9-14(15)16(20)19-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-15,18H,2-10H2,1H3,(H,19,20)
InChIKeyMGSFDHJSEJCXTO-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.70
Rot. Bonds4

About N-(1-adamantyl)-4-(ethylamino)oxolane-3-carboxamide

N-(1-adamantyl)-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 66259609) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(1-adamantyl)-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-(ethylamino)oxolane-3-carboxamide
PubChem CID66259609
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(1-adamantyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O2/c1-2-18-15-10-21-9-14(15)16(20)19-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-15,18H,2-10H2,1H3,(H,19,20)
InChIKeyMGSFDHJSEJCXTO-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]oxolane-3-carboxamide
CID 66257360
4-(ethylamino)-N-ethylsulfonyloxolane-3-carboxamide
CID 103306914
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103966758
4-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]oxolane-3-carboxamide
CID 82724349
4-(ethylamino)-N-(4-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 83177200
(2R)-2-[[4-(ethylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66258745
N-[2-(dimethylamino)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257864
4-(ethylamino)-N-pyrrol-1-yloxolane-3-carboxamide
CID 79100760
4-(ethylamino)-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 66257493
4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide
CID 107221645
7-[[4-(ethylamino)oxolane-3-carbonyl]amino]heptanoic acid
CID 66257729

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-(ethylamino)oxolane-3-carboxamide (CID 66259609) is N-(1-adamantyl)-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is MGSFDHJSEJCXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-18-15-10-21-9-14(15)16(20)19-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-15,18H,2-10H2,1H3,(H,19,20).
What are the key properties of N-(1-adamantyl)-4-(ethylamino)oxolane-3-carboxamide?
N-(1-adamantyl)-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66259609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).