2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide

C21H43NO5 — CID 167448031

IUPAC2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide
SMILESCCCCOCC(=O)NC(COCCC)(COCC(C)C)COCC(C)C
InChIInChI=1S/C21H43NO5/c1-7-9-11-24-14-20(23)22-21(15-25-10-8-2,16-26-12-18(3)4)17-27-13-19(5)6/h18-19H,7-17H2,1-6H3,(H,22,23)
InChIKeyCMHRWTNPBZQSPG-UHFFFAOYSA-N
MW389.58 g/mol
LogP3.43
Rot. Bonds18

About 2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide

2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide (PubChem CID 167448031) has the molecular formula C21H43NO5 and a molecular weight of 389.58 g/mol. Its IUPAC name is 2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide
PubChem CID167448031
Molecular FormulaC21H43NO5
Molecular Weight389.58 g/mol
Exact Mass389.31
IUPAC Name2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide
SMILESCCCCOCC(=O)NC(COCCC)(COCC(C)C)COCC(C)C
InChIInChI=1S/C21H43NO5/c1-7-9-11-24-14-20(23)22-21(15-25-10-8-2,16-26-12-18(3)4)17-27-13-19(5)6/h18-19H,7-17H2,1-6H3,(H,22,23)
InChIKeyCMHRWTNPBZQSPG-UHFFFAOYSA-N
XLogP3.43
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide
CID 119598279
N-[1,3-di(propan-2-yloxy)-2-(propan-2-yloxymethyl)propan-2-yl]-2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]acetamide
CID 167420738
2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid
CID 119187574
2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide
CID 148767306
butyl 2-[2-(2-methylpropoxy)ethoxy]acetate
CID 106446661
N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride
CID 119605723
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propoxyacetamide
CID 103933314
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide
CID 143784438
N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 156795089
methyl 3-butoxy-2,2-dimethylpropanoate
CID 79623220
N-[3-[2-(3-bromopropanoylamino)-3-[3-(3-bromopropanoylamino)propoxy]-2-[3-(3-bromopropanoylamino)propoxymethyl]propoxy]propyl]butanamide
CID 134260809

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide?
The IUPAC name of 2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide (CID 167448031) is 2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide?
The canonical SMILES for 2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide is CCCCOCC(=O)NC(COCCC)(COCC(C)C)COCC(C)C.
What is the InChIKey of 2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide?
The InChIKey is CMHRWTNPBZQSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO5/c1-7-9-11-24-14-20(23)22-21(15-25-10-8-2,16-26-12-18(3)4)17-27-13-19(5)6/h18-19H,7-17H2,1-6H3,(H,22,23).
What are the key properties of 2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide?
2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide has a molecular weight of 389.58 g/mol, XLogP of 3.43, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide is sourced from PubChem (CID 167448031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).