2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide

C13H28N2O2 — CID 115750966

IUPAC2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide
SMILESCCCCOCCCNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-5-6-9-17-10-7-8-15-12(16)11(14)13(2,3)4/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyNRJVYPNLTODHRE-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.68
Rot. Bonds8

About 2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide

2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide (PubChem CID 115750966) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide
PubChem CID115750966
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide
SMILESCCCCOCCCNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-5-6-9-17-10-7-8-15-12(16)11(14)13(2,3)4/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyNRJVYPNLTODHRE-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.68
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

(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119675575
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
(2R)-2-amino-3,3-dimethyl-N-(3-phenylmethoxypropyl)butanamide
CID 103929639
3-butoxypropylurea
CID 115575573
(2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride
CID 119722377
2-bromo-N-(3-butoxypropyl)-3-methylbutanamide
CID 115649429
(2S)-N-(3-butoxypropyl)-2-chloropropanamide
CID 92660561
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
(2S)-2-amino-N-(3-butoxypropyl)-3-cyclopropylpropanamide
CID 112735431
(2S)-2-amino-N-[3-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide;hydrochloride
CID 119747949
(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide
CID 104876667

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide (CID 115750966) is 2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide is CCCCOCCCNC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide?
The InChIKey is NRJVYPNLTODHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-6-9-17-10-7-8-15-12(16)11(14)13(2,3)4/h11H,5-10,14H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide?
2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide has a molecular weight of 244.38 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 115750966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).