N,N-diethyl-10-[(2-methylpropan-2-yl)oxy]undecanamide

C19H39NO2 — CID 164685445

IUPACN,N-diethyl-10-[(2-methylpropan-2-yl)oxy]undecanamide
SMILESCCN(CC)C(=O)CCCCCCCCC(C)OC(C)(C)C
InChIInChI=1S/C19H39NO2/c1-7-20(8-2)18(21)16-14-12-10-9-11-13-15-17(3)22-19(4,5)6/h17H,7-16H2,1-6H3
InChIKeyCYUFQJOXWBUMHC-UHFFFAOYSA-N
MW313.53 g/mol
LogP5.18
Rot. Bonds12

About N,N-diethyl-10-[(2-methylpropan-2-yl)oxy]undecanamide

N,N-diethyl-10-[(2-methylpropan-2-yl)oxy]undecanamide (PubChem CID 164685445) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is N,N-diethyl-10-[(2-methylpropan-2-yl)oxy]undecanamide.

Molecular Properties

Compound NameN,N-diethyl-10-[(2-methylpropan-2-yl)oxy]undecanamide
PubChem CID164685445
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC NameN,N-diethyl-10-[(2-methylpropan-2-yl)oxy]undecanamide
SMILESCCN(CC)C(=O)CCCCCCCCC(C)OC(C)(C)C
InChIInChI=1S/C19H39NO2/c1-7-20(8-2)18(21)16-14-12-10-9-11-13-15-17(3)22-19(4,5)6/h17H,7-16H2,1-6H3
InChIKeyCYUFQJOXWBUMHC-UHFFFAOYSA-N
XLogP5.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 85969
N,N,N',N'-tetrakis-2-ethylhexyldiglycolamide
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CID 134822530
N,N-diethyl-9-(oxiran-2-yl)nonanamide
CID 389881
N,N-diethyl-3-(oxolan-2-yl)propanamide
CID 45877850
12-Methoxy-1-methyl-azacyclododecan-2-one
CID 134988159
Methyl 9-(diisobutylamino)-9-oxononanoate
CID 135391107
N,N-diethyl-10-methoxyundecanamide
CID 164685444
7-Methoxy-heptanoic acid, acetyl-octadecyl-amide
CID 536828
1-[8-(3-Octyl-2-oxiranyl)octanoyl]pyrrolidine
CID 558103
1-[5-(3-Undecyl-2-oxiranyl)pentanoyl]pyrrolidine
CID 574711
Adipic acid, monoamide, N,N-dihexyl-, octyl ester
CID 91705300

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-10-[(2-methylpropan-2-yl)oxy]undecanamide?
The IUPAC name of N,N-diethyl-10-[(2-methylpropan-2-yl)oxy]undecanamide (CID 164685445) is N,N-diethyl-10-[(2-methylpropan-2-yl)oxy]undecanamide.
What is the SMILES notation for N,N-diethyl-10-[(2-methylpropan-2-yl)oxy]undecanamide?
The canonical SMILES for N,N-diethyl-10-[(2-methylpropan-2-yl)oxy]undecanamide is CCN(CC)C(=O)CCCCCCCCC(C)OC(C)(C)C.
What is the InChIKey of N,N-diethyl-10-[(2-methylpropan-2-yl)oxy]undecanamide?
The InChIKey is CYUFQJOXWBUMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-7-20(8-2)18(21)16-14-12-10-9-11-13-15-17(3)22-19(4,5)6/h17H,7-16H2,1-6H3.
What are the key properties of N,N-diethyl-10-[(2-methylpropan-2-yl)oxy]undecanamide?
N,N-diethyl-10-[(2-methylpropan-2-yl)oxy]undecanamide has a molecular weight of 313.53 g/mol, XLogP of 5.18, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-10-[(2-methylpropan-2-yl)oxy]undecanamide is sourced from PubChem (CID 164685445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).