3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide

C19H39NO4 — CID 176948813

IUPAC3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCOC(C)(C)CCOC(C)CCOC(C)C
InChIInChI=1S/C19H39NO4/c1-15(2)14-20-18(21)9-12-24-19(6,7)10-13-23-17(5)8-11-22-16(3)4/h15-17H,8-14H2,1-7H3,(H,20,21)
InChIKeyKINGFQFGRWLWLZ-UHFFFAOYSA-N
MW345.52 g/mol
LogP3.55
Rot. Bonds14

About 3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide

3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide (PubChem CID 176948813) has the molecular formula C19H39NO4 and a molecular weight of 345.52 g/mol. Its IUPAC name is 3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide
PubChem CID176948813
Molecular FormulaC19H39NO4
Molecular Weight345.52 g/mol
Exact Mass345.29
IUPAC Name3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCOC(C)(C)CCOC(C)CCOC(C)C
InChIInChI=1S/C19H39NO4/c1-15(2)14-20-18(21)9-12-24-19(6,7)10-13-23-17(5)8-11-22-16(3)4/h15-17H,8-14H2,1-7H3,(H,20,21)
InChIKeyKINGFQFGRWLWLZ-UHFFFAOYSA-N
XLogP3.55
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(ethylamino)butoxy]-N-(2-methylpropyl)pentanamide
CID 167080036
N-[3-[3-(methoxymethoxy)-3-methylbutoxy]-3-methylbutyl]-N'-[3-methyl-3-[3-methyl-3-(propan-2-yloxymethoxy)butoxy]butyl]octanediamide
CID 170374124
2-methyl-2,5-bis(3-methylbutoxy)hexane
CID 90290201
4-(3-methyl-3-propoxybutoxy)pentanamide
CID 164574576
3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate
CID 89231934
ethane;4-(3-methyl-3-propoxybutoxy)pentanamide
CID 164574575
N-[(2R)-2-(ethylamino)propyl]-3-propan-2-yloxypropanamide
CID 120655011
N-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide
CID 168740714
ethane;7-(3-methoxy-3-methylbutoxy)-N-prop-2-ynyloctanamide
CID 143768089
N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide
CID 146942531
N-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide
CID 111477947
N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide
CID 166464920

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide (CID 176948813) is 3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCOC(C)(C)CCOC(C)CCOC(C)C.
What is the InChIKey of 3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide?
The InChIKey is KINGFQFGRWLWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO4/c1-15(2)14-20-18(21)9-12-24-19(6,7)10-13-23-17(5)8-11-22-16(3)4/h15-17H,8-14H2,1-7H3,(H,20,21).
What are the key properties of 3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide?
3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide has a molecular weight of 345.52 g/mol, XLogP of 3.55, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 176948813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).