N-(1,3-dihydroxypropan-2-yl)nonanamide

C12H25NO3 — CID 65312811

IUPACN-(1,3-dihydroxypropan-2-yl)nonanamide
SMILESCCCCCCCCC(=O)NC(CO)CO
InChIInChI=1S/C12H25NO3/c1-2-3-4-5-6-7-8-12(16)13-11(9-14)10-15/h11,14-15H,2-10H2,1H3,(H,13,16)
InChIKeyNWOFQUJBGLPQPQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.21
Rot. Bonds10

About N-(1,3-dihydroxypropan-2-yl)nonanamide

N-(1,3-dihydroxypropan-2-yl)nonanamide (PubChem CID 65312811) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)nonanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)nonanamide
PubChem CID65312811
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC NameN-(1,3-dihydroxypropan-2-yl)nonanamide
SMILESCCCCCCCCC(=O)NC(CO)CO
InChIInChI=1S/C12H25NO3/c1-2-3-4-5-6-7-8-12(16)13-11(9-14)10-15/h11,14-15H,2-10H2,1H3,(H,13,16)
InChIKeyNWOFQUJBGLPQPQ-UHFFFAOYSA-N
XLogP1.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)nonanamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)nonanamide (CID 65312811) is N-(1,3-dihydroxypropan-2-yl)nonanamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)nonanamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)nonanamide is CCCCCCCCC(=O)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)nonanamide?
The InChIKey is NWOFQUJBGLPQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-2-3-4-5-6-7-8-12(16)13-11(9-14)10-15/h11,14-15H,2-10H2,1H3,(H,13,16).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)nonanamide?
N-(1,3-dihydroxypropan-2-yl)nonanamide has a molecular weight of 231.34 g/mol, XLogP of 1.21, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)nonanamide is sourced from PubChem (CID 65312811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).