N-[3-(2,3-dimethylbutoxy)propyl]butanamide

C13H27NO2 — CID 170407849

IUPACN-[3-(2,3-dimethylbutoxy)propyl]butanamide
SMILESCCCC(=O)NCCCOCC(C)C(C)C
InChIInChI=1S/C13H27NO2/c1-5-7-13(15)14-8-6-9-16-10-12(4)11(2)3/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyRDHLSDBALNWQRY-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.60
Rot. Bonds9

About N-[3-(2,3-dimethylbutoxy)propyl]butanamide

N-[3-(2,3-dimethylbutoxy)propyl]butanamide (PubChem CID 170407849) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-[3-(2,3-dimethylbutoxy)propyl]butanamide.

Molecular Properties

Compound NameN-[3-(2,3-dimethylbutoxy)propyl]butanamide
PubChem CID170407849
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-[3-(2,3-dimethylbutoxy)propyl]butanamide
SMILESCCCC(=O)NCCCOCC(C)C(C)C
InChIInChI=1S/C13H27NO2/c1-5-7-13(15)14-8-6-9-16-10-12(4)11(2)3/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyRDHLSDBALNWQRY-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chloroethoxy)propyl]butanamide
CID 106306571
N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide
CID 121313484
N-[3-(2-methylpropoxy)propyl]propanamide
CID 60705995
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
4-amino-N-(3-propoxypropyl)pentanamide
CID 82942655
N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide
CID 167464495
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303
4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178008137
4-amino-N-(3-ethoxypropyl)pentanamide;hydrochloride
CID 120558779
4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide
CID 82941854
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dimethylbutoxy)propyl]butanamide?
The IUPAC name of N-[3-(2,3-dimethylbutoxy)propyl]butanamide (CID 170407849) is N-[3-(2,3-dimethylbutoxy)propyl]butanamide.
What is the SMILES notation for N-[3-(2,3-dimethylbutoxy)propyl]butanamide?
The canonical SMILES for N-[3-(2,3-dimethylbutoxy)propyl]butanamide is CCCC(=O)NCCCOCC(C)C(C)C.
What is the InChIKey of N-[3-(2,3-dimethylbutoxy)propyl]butanamide?
The InChIKey is RDHLSDBALNWQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-7-13(15)14-8-6-9-16-10-12(4)11(2)3/h11-12H,5-10H2,1-4H3,(H,14,15).
What are the key properties of N-[3-(2,3-dimethylbutoxy)propyl]butanamide?
N-[3-(2,3-dimethylbutoxy)propyl]butanamide has a molecular weight of 229.36 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dimethylbutoxy)propyl]butanamide is sourced from PubChem (CID 170407849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).