N,N-bis(2-hydroxypropyl)-16-methylheptadecanamide

C24H49NO3 — CID 90111514

IUPACN,N-bis(2-hydroxypropyl)-16-methylheptadecanamide
SMILESCC(C)CCCCCCCCCCCCCCC(=O)N(CC(C)O)CC(C)O
InChIInChI=1S/C24H49NO3/c1-21(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-24(28)25(19-22(3)26)20-23(4)27/h21-23,26-27H,5-20H2,1-4H3
InChIKeyFCCFDRIKZYHJIS-UHFFFAOYSA-N
MW399.66 g/mol
LogP5.69
Rot. Bonds19

About N,N-bis(2-hydroxypropyl)-16-methylheptadecanamide

N,N-bis(2-hydroxypropyl)-16-methylheptadecanamide (PubChem CID 90111514) has the molecular formula C24H49NO3 and a molecular weight of 399.66 g/mol. Its IUPAC name is N,N-bis(2-hydroxypropyl)-16-methylheptadecanamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxypropyl)-16-methylheptadecanamide
PubChem CID90111514
Molecular FormulaC24H49NO3
Molecular Weight399.66 g/mol
Exact Mass399.37
IUPAC NameN,N-bis(2-hydroxypropyl)-16-methylheptadecanamide
SMILESCC(C)CCCCCCCCCCCCCCC(=O)N(CC(C)O)CC(C)O
InChIInChI=1S/C24H49NO3/c1-21(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-24(28)25(19-22(3)26)20-23(4)27/h21-23,26-27H,5-20H2,1-4H3
InChIKeyFCCFDRIKZYHJIS-UHFFFAOYSA-N
XLogP5.69
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.66
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide
CID 166071736
N,N-bis(2-hydroxypropyl)docosanamide
CID 102118847
N,N-bis(2-hydroxyethyl)-7-methyloctanamide
CID 54230939
N,9-dimethyl-N-propan-2-yldecanamide
CID 170241261
N,8-dimethyl-N-propan-2-ylnonanamide
CID 170241265
N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide
CID 139337163
N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride
CID 11188780
N-(2-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide
CID 152732092
1-[[4-[1-[[4-[bis[2-[4-[bis(2-hydroxypropyl)amino]-4-oxobutanoyl]oxypropyl]amino]-4-oxobutanoyl]-[2-[4-[2-hydroxypropyl(2-methylpropyl)amino]-4-oxobutanoyl]oxypropyl]amino]propan-2-yloxy]-4-oxobutanoyl]-(2-hydroxypropyl)amino]propan-2-yl dodecanoate
CID 89411088
2-amino-N-(2-hydroxypropyl)-N-(2-methylpropyl)acetamide
CID 170614362
sodium 2-[methyl(16-methylheptadecanoyl)amino]acetate
CID 166060190
2,16-dimethylheptadecan-6-one
CID 158111781

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxypropyl)-16-methylheptadecanamide?
The IUPAC name of N,N-bis(2-hydroxypropyl)-16-methylheptadecanamide (CID 90111514) is N,N-bis(2-hydroxypropyl)-16-methylheptadecanamide.
What is the SMILES notation for N,N-bis(2-hydroxypropyl)-16-methylheptadecanamide?
The canonical SMILES for N,N-bis(2-hydroxypropyl)-16-methylheptadecanamide is CC(C)CCCCCCCCCCCCCCC(=O)N(CC(C)O)CC(C)O.
What is the InChIKey of N,N-bis(2-hydroxypropyl)-16-methylheptadecanamide?
The InChIKey is FCCFDRIKZYHJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO3/c1-21(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-24(28)25(19-22(3)26)20-23(4)27/h21-23,26-27H,5-20H2,1-4H3.
What are the key properties of N,N-bis(2-hydroxypropyl)-16-methylheptadecanamide?
N,N-bis(2-hydroxypropyl)-16-methylheptadecanamide has a molecular weight of 399.66 g/mol, XLogP of 5.69, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxypropyl)-16-methylheptadecanamide is sourced from PubChem (CID 90111514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).