N-[3-(2-methylpropoxy)propyl]propanamide

C10H21NO2 — CID 60705995

IUPACN-[3-(2-methylpropoxy)propyl]propanamide
SMILESCCC(=O)NCCCOCC(C)C
InChIInChI=1S/C10H21NO2/c1-4-10(12)11-6-5-7-13-8-9(2)3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyXZHBPHYSCIYQTO-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.58
Rot. Bonds7

About N-[3-(2-methylpropoxy)propyl]propanamide

N-[3-(2-methylpropoxy)propyl]propanamide (PubChem CID 60705995) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]propanamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]propanamide
PubChem CID60705995
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-[3-(2-methylpropoxy)propyl]propanamide
SMILESCCC(=O)NCCCOCC(C)C
InChIInChI=1S/C10H21NO2/c1-4-10(12)11-6-5-7-13-8-9(2)3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyXZHBPHYSCIYQTO-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.58
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-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588549
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986
2-(methylamino)-N-[3-(2-methylpropoxy)propyl]acetamide;hydrochloride
CID 119693610
N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide
CID 167464495
ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
CID 166555356
(2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide
CID 61155526
2-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 104936506
N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide
CID 113219121
N-(4-methylpentyl)propanamide
CID 54140551
N-(3-hydroperoxypropyl)propanamide
CID 59935072
N-(5-ethoxypentyl)propanamide
CID 91349564
N-[3-(2,3-dimethylbutoxy)propyl]butanamide
CID 170407849

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)propyl]propanamide?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]propanamide (CID 60705995) is N-[3-(2-methylpropoxy)propyl]propanamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]propanamide?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]propanamide is CCC(=O)NCCCOCC(C)C.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]propanamide?
The InChIKey is XZHBPHYSCIYQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-10(12)11-6-5-7-13-8-9(2)3/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-[3-(2-methylpropoxy)propyl]propanamide?
N-[3-(2-methylpropoxy)propyl]propanamide has a molecular weight of 187.28 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]propanamide is sourced from PubChem (CID 60705995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).