N-[[2-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-1-methylcyclopropyl]methyl]propanamide

C16H31NO3 — CID 143719940

IUPACN-[[2-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-1-methylcyclopropyl]methyl]propanamide
SMILESCCC(=O)NCC1(C)CC1C(C)(C)OCCC(C)(C)O
InChIInChI=1S/C16H31NO3/c1-7-13(18)17-11-16(6)10-12(16)15(4,5)20-9-8-14(2,3)19/h12,19H,7-11H2,1-6H3,(H,17,18)
InChIKeyMMIPMVQYABQYEK-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.49
Rot. Bonds8

About N-[[2-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-1-methylcyclopropyl]methyl]propanamide

N-[[2-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-1-methylcyclopropyl]methyl]propanamide (PubChem CID 143719940) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[[2-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-1-methylcyclopropyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-1-methylcyclopropyl]methyl]propanamide
PubChem CID143719940
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC NameN-[[2-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-1-methylcyclopropyl]methyl]propanamide
SMILESCCC(=O)NCC1(C)CC1C(C)(C)OCCC(C)(C)O
InChIInChI=1S/C16H31NO3/c1-7-13(18)17-11-16(6)10-12(16)15(4,5)20-9-8-14(2,3)19/h12,19H,7-11H2,1-6H3,(H,17,18)
InChIKeyMMIPMVQYABQYEK-UHFFFAOYSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-1-methylcyclopropyl]methyl]propanamide?
The IUPAC name of N-[[2-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-1-methylcyclopropyl]methyl]propanamide (CID 143719940) is N-[[2-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-1-methylcyclopropyl]methyl]propanamide.
What is the SMILES notation for N-[[2-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-1-methylcyclopropyl]methyl]propanamide?
The canonical SMILES for N-[[2-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-1-methylcyclopropyl]methyl]propanamide is CCC(=O)NCC1(C)CC1C(C)(C)OCCC(C)(C)O.
What is the InChIKey of N-[[2-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-1-methylcyclopropyl]methyl]propanamide?
The InChIKey is MMIPMVQYABQYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-7-13(18)17-11-16(6)10-12(16)15(4,5)20-9-8-14(2,3)19/h12,19H,7-11H2,1-6H3,(H,17,18).
What are the key properties of N-[[2-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-1-methylcyclopropyl]methyl]propanamide?
N-[[2-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-1-methylcyclopropyl]methyl]propanamide has a molecular weight of 285.43 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]-1-methylcyclopropyl]methyl]propanamide is sourced from PubChem (CID 143719940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).