N-[2-hydroxy-3-[methyl-[3-(1-methylcyclopropyl)propanoyl]amino]propyl]-N,5-dimethyloxolane-3-carboxamide

C18H32N2O4 — CID 166298026

IUPACN-[2-hydroxy-3-[methyl-[3-(1-methylcyclopropyl)propanoyl]amino]propyl]-N,5-dimethyloxolane-3-carboxamide
SMILESCC1CC(C(=O)N(C)CC(O)CN(C)C(=O)CCC2(C)CC2)CO1
InChIInChI=1S/C18H32N2O4/c1-13-9-14(12-24-13)17(23)20(4)11-15(21)10-19(3)16(22)5-6-18(2)7-8-18/h13-15,21H,5-12H2,1-4H3
InChIKeyMSOJRQKHWCDLDN-UHFFFAOYSA-N
MW340.46 g/mol
LogP1.27
Rot. Bonds8

About N-[2-hydroxy-3-[methyl-[3-(1-methylcyclopropyl)propanoyl]amino]propyl]-N,5-dimethyloxolane-3-carboxamide

N-[2-hydroxy-3-[methyl-[3-(1-methylcyclopropyl)propanoyl]amino]propyl]-N,5-dimethyloxolane-3-carboxamide (PubChem CID 166298026) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is N-[2-hydroxy-3-[methyl-[3-(1-methylcyclopropyl)propanoyl]amino]propyl]-N,5-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[methyl-[3-(1-methylcyclopropyl)propanoyl]amino]propyl]-N,5-dimethyloxolane-3-carboxamide
PubChem CID166298026
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC NameN-[2-hydroxy-3-[methyl-[3-(1-methylcyclopropyl)propanoyl]amino]propyl]-N,5-dimethyloxolane-3-carboxamide
SMILESCC1CC(C(=O)N(C)CC(O)CN(C)C(=O)CCC2(C)CC2)CO1
InChIInChI=1S/C18H32N2O4/c1-13-9-14(12-24-13)17(23)20(4)11-15(21)10-19(3)16(22)5-6-18(2)7-8-18/h13-15,21H,5-12H2,1-4H3
InChIKeyMSOJRQKHWCDLDN-UHFFFAOYSA-N
XLogP1.27
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromopropyl)-N,5-dimethyloxolane-3-carboxamide
CID 114823158
N-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide
CID 114823103
methyl 2-methyl-3-[methyl-(5-methyloxolane-3-carbonyl)amino]propanoate
CID 114826525
N-(1-chloro-2-methylpropan-2-yl)-N,5-dimethyloxolane-3-carboxamide
CID 114823379
N-methoxy-N,5-dimethyloxolane-3-carboxamide
CID 114826107
N-(2-hydroxyethyl)-5-methyl-N-propan-2-yloxolane-3-carboxamide
CID 114826169
N,5-dimethyl-N-(piperidin-3-ylmethyl)oxolane-3-carboxamide
CID 106627633
ethyl 2-[(5-methyloxolane-3-carbonyl)-propan-2-ylamino]acetate
CID 114826513
N-(2-cyanoethyl)-5-methyl-N-(2-methylpropyl)oxolane-3-carboxamide
CID 114825528
N-cyclopropyl-N-(2-hydroxyethyl)-5-methyloxolane-3-carboxamide
CID 114826170
(3S,5S)-5-methyloxolane-3-carboxylic acid
CID 97300455
N-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide
CID 114825557

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[methyl-[3-(1-methylcyclopropyl)propanoyl]amino]propyl]-N,5-dimethyloxolane-3-carboxamide?
The IUPAC name of N-[2-hydroxy-3-[methyl-[3-(1-methylcyclopropyl)propanoyl]amino]propyl]-N,5-dimethyloxolane-3-carboxamide (CID 166298026) is N-[2-hydroxy-3-[methyl-[3-(1-methylcyclopropyl)propanoyl]amino]propyl]-N,5-dimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-[methyl-[3-(1-methylcyclopropyl)propanoyl]amino]propyl]-N,5-dimethyloxolane-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-[methyl-[3-(1-methylcyclopropyl)propanoyl]amino]propyl]-N,5-dimethyloxolane-3-carboxamide is CC1CC(C(=O)N(C)CC(O)CN(C)C(=O)CCC2(C)CC2)CO1.
What is the InChIKey of N-[2-hydroxy-3-[methyl-[3-(1-methylcyclopropyl)propanoyl]amino]propyl]-N,5-dimethyloxolane-3-carboxamide?
The InChIKey is MSOJRQKHWCDLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-13-9-14(12-24-13)17(23)20(4)11-15(21)10-19(3)16(22)5-6-18(2)7-8-18/h13-15,21H,5-12H2,1-4H3.
What are the key properties of N-[2-hydroxy-3-[methyl-[3-(1-methylcyclopropyl)propanoyl]amino]propyl]-N,5-dimethyloxolane-3-carboxamide?
N-[2-hydroxy-3-[methyl-[3-(1-methylcyclopropyl)propanoyl]amino]propyl]-N,5-dimethyloxolane-3-carboxamide has a molecular weight of 340.46 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[methyl-[3-(1-methylcyclopropyl)propanoyl]amino]propyl]-N,5-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 166298026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).