N-[1-(4-methyl-3-oxopentoxy)-3-(3-oxobutoxy)propan-2-yl]acetamide

C15H27NO5 — CID 167221569

IUPACN-[1-(4-methyl-3-oxopentoxy)-3-(3-oxobutoxy)propan-2-yl]acetamide
SMILESCC(=O)CCOCC(COCCC(=O)C(C)C)NC(C)=O
InChIInChI=1S/C15H27NO5/c1-11(2)15(19)6-8-21-10-14(16-13(4)18)9-20-7-5-12(3)17/h11,14H,5-10H2,1-4H3,(H,16,18)
InChIKeyRSEDLJBOTRJWBQ-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.12
Rot. Bonds12

About N-[1-(4-methyl-3-oxopentoxy)-3-(3-oxobutoxy)propan-2-yl]acetamide

N-[1-(4-methyl-3-oxopentoxy)-3-(3-oxobutoxy)propan-2-yl]acetamide (PubChem CID 167221569) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[1-(4-methyl-3-oxopentoxy)-3-(3-oxobutoxy)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methyl-3-oxopentoxy)-3-(3-oxobutoxy)propan-2-yl]acetamide
PubChem CID167221569
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC NameN-[1-(4-methyl-3-oxopentoxy)-3-(3-oxobutoxy)propan-2-yl]acetamide
SMILESCC(=O)CCOCC(COCCC(=O)C(C)C)NC(C)=O
InChIInChI=1S/C15H27NO5/c1-11(2)15(19)6-8-21-10-14(16-13(4)18)9-20-7-5-12(3)17/h11,14H,5-10H2,1-4H3,(H,16,18)
InChIKeyRSEDLJBOTRJWBQ-UHFFFAOYSA-N
XLogP1.12
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1,3-bis(3-oxobutoxy)propan-2-yl]-2-(dimethylamino)acetamide
CID 170359530
ethane;4-methyl-1-[2-(methylamino)-3-(3-oxobutoxy)-2-(3-oxobutoxymethyl)propoxy]pentan-3-one
CID 177178068
1-(2,2-difluoroethoxy)-4-methylpentan-3-one
CID 103147305
N-[1-(4-methyl-3-oxopentoxy)-2-(3-oxobutoxymethyl)-3-(3-oxopentoxy)propan-2-yl]propanamide
CID 178008588
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentan-3-one
CID 176767842
4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one
CID 140823499
(2S)-2-acetamido-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 157395276
4-methyl-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 176650799
4-methyl-1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]pentan-3-one
CID 135299160
ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 176578249
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
5-[5-(2-methylpropanoyl)-2-pyridinyl]-N-[1-(3-oxobutoxy)-3-(3-oxopentoxy)propan-2-yl]pyridine-2-carboxamide
CID 178008193

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-3-oxopentoxy)-3-(3-oxobutoxy)propan-2-yl]acetamide?
The IUPAC name of N-[1-(4-methyl-3-oxopentoxy)-3-(3-oxobutoxy)propan-2-yl]acetamide (CID 167221569) is N-[1-(4-methyl-3-oxopentoxy)-3-(3-oxobutoxy)propan-2-yl]acetamide.
What is the SMILES notation for N-[1-(4-methyl-3-oxopentoxy)-3-(3-oxobutoxy)propan-2-yl]acetamide?
The canonical SMILES for N-[1-(4-methyl-3-oxopentoxy)-3-(3-oxobutoxy)propan-2-yl]acetamide is CC(=O)CCOCC(COCCC(=O)C(C)C)NC(C)=O.
What is the InChIKey of N-[1-(4-methyl-3-oxopentoxy)-3-(3-oxobutoxy)propan-2-yl]acetamide?
The InChIKey is RSEDLJBOTRJWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-11(2)15(19)6-8-21-10-14(16-13(4)18)9-20-7-5-12(3)17/h11,14H,5-10H2,1-4H3,(H,16,18).
What are the key properties of N-[1-(4-methyl-3-oxopentoxy)-3-(3-oxobutoxy)propan-2-yl]acetamide?
N-[1-(4-methyl-3-oxopentoxy)-3-(3-oxobutoxy)propan-2-yl]acetamide has a molecular weight of 301.38 g/mol, XLogP of 1.12, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-3-oxopentoxy)-3-(3-oxobutoxy)propan-2-yl]acetamide is sourced from PubChem (CID 167221569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).