N-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide

C16H32N2O2 — CID 66254601

IUPACN-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N(CC)CC(CC)CC
InChIInChI=1S/C16H32N2O2/c1-5-9-17-15-12-20-11-14(15)16(19)18(8-4)10-13(6-2)7-3/h13-15,17H,5-12H2,1-4H3
InChIKeyBUYIMMZAIDBVQD-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.29
Rot. Bonds9

About N-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide

N-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66254601) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID66254601
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N(CC)CC(CC)CC
InChIInChI=1S/C16H32N2O2/c1-5-9-17-15-12-20-11-14(15)16(19)18(8-4)10-13(6-2)7-3/h13-15,17H,5-12H2,1-4H3
InChIKeyBUYIMMZAIDBVQD-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid
CID 66256929
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(propylamino)oxolane-3-carboxamide
CID 103188711
2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66256930
2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255984
2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587700
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663
N,N-diethyl-4-(methylamino)oxolane-3-carboxamide
CID 66265754
N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 66255598
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
N-cyclohexyl-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66257070
N-(2-methoxyethyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66254816
N-butyl-N-cyclopropyl-4-(propylamino)oxolane-3-carboxamide
CID 66257100

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide (CID 66254601) is N-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)N(CC)CC(CC)CC.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is BUYIMMZAIDBVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-9-17-15-12-20-11-14(15)16(19)18(8-4)10-13(6-2)7-3/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide?
N-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 284.44 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66254601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).