3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide

C16H34N2O3 — CID 163926575

IUPAC3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide
SMILESCC(C)NCCNC(=O)CCOCCCCOC(C)(C)C
InChIInChI=1S/C16H34N2O3/c1-14(2)17-9-10-18-15(19)8-13-20-11-6-7-12-21-16(3,4)5/h14,17H,6-13H2,1-5H3,(H,18,19)
InChIKeyREZRALSGOWIIRY-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.10
Rot. Bonds12

About 3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide

3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide (PubChem CID 163926575) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide
PubChem CID163926575
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Name3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide
SMILESCC(C)NCCNC(=O)CCOCCCCOC(C)(C)C
InChIInChI=1S/C16H34N2O3/c1-14(2)17-9-10-18-15(19)8-13-20-11-6-7-12-21-16(3,4)5/h14,17H,6-13H2,1-5H3,(H,18,19)
InChIKeyREZRALSGOWIIRY-UHFFFAOYSA-N
XLogP2.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-[3-(propan-2-ylamino)propoxy]propanamide
CID 62342053
5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 112590039
N-[2-[2-[2-[3-oxo-3-[2-(propan-2-ylamino)ethylamino]propoxy]ethoxy]ethoxy]ethyl]-3-sulfanylbutanamide
CID 167310634
6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide
CID 126707815
5,5-dimethyl-4-oxo-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]hexanamide
CID 139469641
3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide
CID 168959857
3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide
CID 135224068
4-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 171803932
2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide
CID 170038260
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749925
N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide
CID 134351969
N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide
CID 170124015

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide?
The IUPAC name of 3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide (CID 163926575) is 3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide?
The canonical SMILES for 3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide is CC(C)NCCNC(=O)CCOCCCCOC(C)(C)C.
What is the InChIKey of 3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide?
The InChIKey is REZRALSGOWIIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-14(2)17-9-10-18-15(19)8-13-20-11-6-7-12-21-16(3,4)5/h14,17H,6-13H2,1-5H3,(H,18,19).
What are the key properties of 3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide?
3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide has a molecular weight of 302.46 g/mol, XLogP of 2.10, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 163926575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).