N,N-bis(2-hydroxypropyl)docosanamide

C28H57NO3 — CID 102118847

IUPACN,N-bis(2-hydroxypropyl)docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N(CC(C)O)CC(C)O
InChIInChI=1S/C28H57NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(32)29(24-26(2)30)25-27(3)31/h26-27,30-31H,4-25H2,1-3H3
InChIKeyHZGVJYBNKVATPV-UHFFFAOYSA-N
MW455.77 g/mol
LogP7.40
Rot. Bonds24

About N,N-bis(2-hydroxypropyl)docosanamide

N,N-bis(2-hydroxypropyl)docosanamide (PubChem CID 102118847) has the molecular formula C28H57NO3 and a molecular weight of 455.77 g/mol. Its IUPAC name is N,N-bis(2-hydroxypropyl)docosanamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxypropyl)docosanamide
PubChem CID102118847
Molecular FormulaC28H57NO3
Molecular Weight455.77 g/mol
Exact Mass455.43
IUPAC NameN,N-bis(2-hydroxypropyl)docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N(CC(C)O)CC(C)O
InChIInChI=1S/C28H57NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(32)29(24-26(2)30)25-27(3)31/h26-27,30-31H,4-25H2,1-3H3
InChIKeyHZGVJYBNKVATPV-UHFFFAOYSA-N
XLogP7.40
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.77
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-bis(2-hydroxypropyl)docosanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide
CID 152732092
N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide
CID 166071736
N,N-bis(2-hydroxypropyl)-16-methylheptadecanamide
CID 90111514
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
N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide
CID 139337163
N-(3-amino-2-hydroxypropyl)-N-[4-[(3-amino-2-hydroxypropyl)-tetradecanoylamino]-2,3-dihydroxybutyl]tetradecanamide
CID 177309910
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-bis(hydroxymethyl)tetradecanamide
CID 54140383
N,N-di(nonyl)octanamide
CID 533141
N,N-dipropylnonadecanamide
CID 12960009
N,N-dioctyltetradecanamide
CID 169083302
2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxypropyl)docosanamide?
The IUPAC name of N,N-bis(2-hydroxypropyl)docosanamide (CID 102118847) is N,N-bis(2-hydroxypropyl)docosanamide.
What is the SMILES notation for N,N-bis(2-hydroxypropyl)docosanamide?
The canonical SMILES for N,N-bis(2-hydroxypropyl)docosanamide is CCCCCCCCCCCCCCCCCCCCCC(=O)N(CC(C)O)CC(C)O.
What is the InChIKey of N,N-bis(2-hydroxypropyl)docosanamide?
The InChIKey is HZGVJYBNKVATPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(32)29(24-26(2)30)25-27(3)31/h26-27,30-31H,4-25H2,1-3H3.
What are the key properties of N,N-bis(2-hydroxypropyl)docosanamide?
N,N-bis(2-hydroxypropyl)docosanamide has a molecular weight of 455.77 g/mol, XLogP of 7.40, 24 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)docosanamide is sourced from PubChem (CID 102118847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).