N-[2-[2-[2-[3-(butan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-3-(2-methylpropoxy)benzamide

C24H42N2O5 — CID 170145792

IUPACN-[2-[2-[2-[3-(butan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-3-(2-methylpropoxy)benzamide
SMILESCCC(C)NCCCOCCOCCOCCNC(=O)c1cccc(OCC(C)C)c1
InChIInChI=1S/C24H42N2O5/c1-5-21(4)25-10-7-12-28-14-16-30-17-15-29-13-11-26-24(27)22-8-6-9-23(18-22)31-19-20(2)3/h6,8-9,18,20-21,25H,5,7,10-17,19H2,1-4H3,(H,26,27)
InChIKeyICVZWNPZGZBSTA-UHFFFAOYSA-N
MW438.61 g/mol
LogP3.28
Rot. Bonds19

About N-[2-[2-[2-[3-(butan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-3-(2-methylpropoxy)benzamide

N-[2-[2-[2-[3-(butan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-3-(2-methylpropoxy)benzamide (PubChem CID 170145792) has the molecular formula C24H42N2O5 and a molecular weight of 438.61 g/mol. Its IUPAC name is N-[2-[2-[2-[3-(butan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[2-[2-[2-[3-(butan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-3-(2-methylpropoxy)benzamide
PubChem CID170145792
Molecular FormulaC24H42N2O5
Molecular Weight438.61 g/mol
Exact Mass438.31
IUPAC NameN-[2-[2-[2-[3-(butan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-3-(2-methylpropoxy)benzamide
SMILESCCC(C)NCCCOCCOCCOCCNC(=O)c1cccc(OCC(C)C)c1
InChIInChI=1S/C24H42N2O5/c1-5-21(4)25-10-7-12-28-14-16-30-17-15-29-13-11-26-24(27)22-8-6-9-23(18-22)31-19-20(2)3/h6,8-9,18,20-21,25H,5,7,10-17,19H2,1-4H3,(H,26,27)
InChIKeyICVZWNPZGZBSTA-UHFFFAOYSA-N
XLogP3.28
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S)-2-(methyldisulfanyl)propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide
CID 174104303
3-[(2R)-2-(methyldisulfanyl)propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide
CID 174104305
3-[2-(methyldisulfanyl)propoxy]-N-[2-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide
CID 169026191
N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide
CID 106842963
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
N-[2-[[(2S)-heptan-2-yl]amino]ethyl]-3-(2-hexylnonoxy)benzamide
CID 155048731
3-[2-(tert-butyldisulfanyl)-2-[2-(2-methylpropoxy)ethoxy]propoxy]-N-[2-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]ethyl]benzamide;ethane
CID 166552125
N-(3-hydroxy-2-methylpropyl)-3-(2-methylpropoxy)benzamide
CID 65037333
N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide
CID 78785705
N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide
CID 106307036
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 66168078

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[3-(butan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-[2-[2-[2-[3-(butan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-3-(2-methylpropoxy)benzamide (CID 170145792) is N-[2-[2-[2-[3-(butan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[2-[2-[2-[3-(butan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[2-[2-[2-[3-(butan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-3-(2-methylpropoxy)benzamide is CCC(C)NCCCOCCOCCOCCNC(=O)c1cccc(OCC(C)C)c1.
What is the InChIKey of N-[2-[2-[2-[3-(butan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-3-(2-methylpropoxy)benzamide?
The InChIKey is ICVZWNPZGZBSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O5/c1-5-21(4)25-10-7-12-28-14-16-30-17-15-29-13-11-26-24(27)22-8-6-9-23(18-22)31-19-20(2)3/h6,8-9,18,20-21,25H,5,7,10-17,19H2,1-4H3,(H,26,27).
What are the key properties of N-[2-[2-[2-[3-(butan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-3-(2-methylpropoxy)benzamide?
N-[2-[2-[2-[3-(butan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-3-(2-methylpropoxy)benzamide has a molecular weight of 438.61 g/mol, XLogP of 3.28, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[3-(butan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 170145792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).