N,N-bis(hydroxymethyl)pentanamide

C7H15NO3 — CID 88793497

IUPACN,N-bis(hydroxymethyl)pentanamide
SMILESCCCCC(=O)N(CO)CO
InChIInChI=1S/C7H15NO3/c1-2-3-4-7(11)8(5-9)6-10/h9-10H,2-6H2,1H3
InChIKeyPYPGDGVKOUVTIM-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.10
Rot. Bonds5

About N,N-bis(hydroxymethyl)pentanamide

N,N-bis(hydroxymethyl)pentanamide (PubChem CID 88793497) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is N,N-bis(hydroxymethyl)pentanamide.

Molecular Properties

Compound NameN,N-bis(hydroxymethyl)pentanamide
PubChem CID88793497
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC NameN,N-bis(hydroxymethyl)pentanamide
SMILESCCCCC(=O)N(CO)CO
InChIInChI=1S/C7H15NO3/c1-2-3-4-7(11)8(5-9)6-10/h9-10H,2-6H2,1H3
InChIKeyPYPGDGVKOUVTIM-UHFFFAOYSA-N
XLogP-0.10
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N,N-bis(hydroxymethyl)pentanamide 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,N-bis(hydroxymethyl)tetradecanamide
CID 54140383
N-butyl-N-ethylpentanamide
CID 4629847
N,N-di(undecyl)pentanamide
CID 532896
2-[carboxymethyl(octadecanoyl)amino]acetic acid
CID 13060866
azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid
CID 173442043
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836
N,N-dipropylnonadecanamide
CID 12960009
N,N-dioctyltetradecanamide
CID 169083302
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N-[2-[hexadecanoyl(3-hydroxypropyl)amino]ethyl]-N-(3-hydroxypropyl)hexadecanamide
CID 18787706
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642

Frequently Asked Questions

What is the IUPAC name of N,N-bis(hydroxymethyl)pentanamide?
The IUPAC name of N,N-bis(hydroxymethyl)pentanamide (CID 88793497) is N,N-bis(hydroxymethyl)pentanamide.
What is the SMILES notation for N,N-bis(hydroxymethyl)pentanamide?
The canonical SMILES for N,N-bis(hydroxymethyl)pentanamide is CCCCC(=O)N(CO)CO.
What is the InChIKey of N,N-bis(hydroxymethyl)pentanamide?
The InChIKey is PYPGDGVKOUVTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-3-4-7(11)8(5-9)6-10/h9-10H,2-6H2,1H3.
What are the key properties of N,N-bis(hydroxymethyl)pentanamide?
N,N-bis(hydroxymethyl)pentanamide has a molecular weight of 161.20 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(hydroxymethyl)pentanamide is sourced from PubChem (CID 88793497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).