N-tert-butyl-3-(4-methoxybutylamino)propanamide

C12H26N2O2 — CID 115605378

IUPACN-tert-butyl-3-(4-methoxybutylamino)propanamide
SMILESCOCCCCNCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-12(2,3)14-11(15)7-9-13-8-5-6-10-16-4/h13H,5-10H2,1-4H3,(H,14,15)
InChIKeyIFNDETSTBUYOOH-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.31
Rot. Bonds8

About N-tert-butyl-3-(4-methoxybutylamino)propanamide

N-tert-butyl-3-(4-methoxybutylamino)propanamide (PubChem CID 115605378) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-tert-butyl-3-(4-methoxybutylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-methoxybutylamino)propanamide
PubChem CID115605378
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-tert-butyl-3-(4-methoxybutylamino)propanamide
SMILESCOCCCCNCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-12(2,3)14-11(15)7-9-13-8-5-6-10-16-4/h13H,5-10H2,1-4H3,(H,14,15)
InChIKeyIFNDETSTBUYOOH-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methoxyhexylamino)-N-methylpropanamide
CID 143379158
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid
CID 103263111
N-tert-butyl-3-(2-hydroxyethylamino)propanamide
CID 112688508
2-(5-methoxypentylamino)-N-(2-methylbutan-2-yl)acetamide
CID 114130456
5-(3-methoxypropylamino)pentanoic acid
CID 103237135
4-(5-methoxypentanoylamino)-4-methylpentanoic acid
CID 119203844
N,N'-ditert-butylhexanediamide
CID 3593481
N-(3-methoxypropyl)-3-(propylamino)propanamide
CID 109011484
N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide
CID 138656709
N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025890
N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide
CID 106932485
N-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide
CID 103088362

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-methoxybutylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(4-methoxybutylamino)propanamide (CID 115605378) is N-tert-butyl-3-(4-methoxybutylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(4-methoxybutylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(4-methoxybutylamino)propanamide is COCCCCNCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(4-methoxybutylamino)propanamide?
The InChIKey is IFNDETSTBUYOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12(2,3)14-11(15)7-9-13-8-5-6-10-16-4/h13H,5-10H2,1-4H3,(H,14,15).
What are the key properties of N-tert-butyl-3-(4-methoxybutylamino)propanamide?
N-tert-butyl-3-(4-methoxybutylamino)propanamide has a molecular weight of 230.35 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-methoxybutylamino)propanamide is sourced from PubChem (CID 115605378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).