2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide

C14H30N2O4 — CID 103913986

IUPAC2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
SMILESCCCCOCCOCC(O)CNC(C(N)=O)C(C)C
InChIInChI=1S/C14H30N2O4/c1-4-5-6-19-7-8-20-10-12(17)9-16-13(11(2)3)14(15)18/h11-13,16-17H,4-10H2,1-3H3,(H2,15,18)
InChIKeyHBLYDCLSFROOMK-UHFFFAOYSA-N
MW290.40 g/mol
LogP0.28
Rot. Bonds13

About 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide

2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide (PubChem CID 103913986) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
PubChem CID103913986
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
SMILESCCCCOCCOCC(O)CNC(C(N)=O)C(C)C
InChIInChI=1S/C14H30N2O4/c1-4-5-6-19-7-8-20-10-12(17)9-16-13(11(2)3)14(15)18/h11-13,16-17H,4-10H2,1-3H3,(H2,15,18)
InChIKeyHBLYDCLSFROOMK-UHFFFAOYSA-N
XLogP0.28
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665
2-[(2-hydroxy-3-octoxypropyl)amino]propanamide
CID 54938860
1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol
CID 63838472
2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide
CID 61477156
1-butoxy-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 107262659
(2R)-1-butoxybutan-2-ol
CID 27255938
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide
CID 112738116
(2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid
CID 101333987
3-[(3-butoxy-2-hydroxypropyl)amino]propanamide
CID 107262577
2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
CID 107263156
N-(3-butoxy-2-hydroxypropyl)acetamide
CID 45119319

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide (CID 103913986) is 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide is CCCCOCCOCC(O)CNC(C(N)=O)C(C)C.
What is the InChIKey of 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide?
The InChIKey is HBLYDCLSFROOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-4-5-6-19-7-8-20-10-12(17)9-16-13(11(2)3)14(15)18/h11-13,16-17H,4-10H2,1-3H3,(H2,15,18).
What are the key properties of 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide?
2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide has a molecular weight of 290.40 g/mol, XLogP of 0.28, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide is sourced from PubChem (CID 103913986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).