N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide

C13H27NO3 — CID 167117369

IUPACN-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
SMILESCCCOCCOCCC(=O)NCCC(C)C
InChIInChI=1S/C13H27NO3/c1-4-8-16-10-11-17-9-6-13(15)14-7-5-12(2)3/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyDXDRDVNQZTVTCW-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.98
Rot. Bonds11

About N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide

N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide (PubChem CID 167117369) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
PubChem CID167117369
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
SMILESCCCOCCOCCC(=O)NCCC(C)C
InChIInChI=1S/C13H27NO3/c1-4-8-16-10-11-17-9-6-13(15)14-7-5-12(2)3/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyDXDRDVNQZTVTCW-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide
CID 170123968
ethane;3-propoxy-N-propylpropanamide
CID 163269237
N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide
CID 134351969
2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid
CID 143180051
6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide
CID 176717444
4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178008137
ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen
CID 170613092
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
CID 166039715
N-[(2R)-2-hydroxypropyl]-3-propoxypropanamide
CID 83060047

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide?
The IUPAC name of N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide (CID 167117369) is N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide is CCCOCCOCCC(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide?
The InChIKey is DXDRDVNQZTVTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-4-8-16-10-11-17-9-6-13(15)14-7-5-12(2)3/h12H,4-11H2,1-3H3,(H,14,15).
What are the key properties of N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide?
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide has a molecular weight of 245.36 g/mol, XLogP of 1.98, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide is sourced from PubChem (CID 167117369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).