N,N-bis(1-hydroxyethyl)propanamide

C7H15NO3 — CID 57036689

IUPACN,N-bis(1-hydroxyethyl)propanamide
SMILESCCC(=O)N(C(C)O)C(C)O
InChIInChI=1S/C7H15NO3/c1-4-7(11)8(5(2)9)6(3)10/h5-6,9-10H,4H2,1-3H3
InChIKeyOTSJIVZTGWORPR-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.10
Rot. Bonds3

About N,N-bis(1-hydroxyethyl)propanamide

N,N-bis(1-hydroxyethyl)propanamide (PubChem CID 57036689) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is N,N-bis(1-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN,N-bis(1-hydroxyethyl)propanamide
PubChem CID57036689
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC NameN,N-bis(1-hydroxyethyl)propanamide
SMILESCCC(=O)N(C(C)O)C(C)O
InChIInChI=1S/C7H15NO3/c1-4-7(11)8(5(2)9)6(3)10/h5-6,9-10H,4H2,1-3H3
InChIKeyOTSJIVZTGWORPR-UHFFFAOYSA-N
XLogP-0.10
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(1-hydroxyethyl)propanamide?
The IUPAC name of N,N-bis(1-hydroxyethyl)propanamide (CID 57036689) is N,N-bis(1-hydroxyethyl)propanamide.
What is the SMILES notation for N,N-bis(1-hydroxyethyl)propanamide?
The canonical SMILES for N,N-bis(1-hydroxyethyl)propanamide is CCC(=O)N(C(C)O)C(C)O.
What is the InChIKey of N,N-bis(1-hydroxyethyl)propanamide?
The InChIKey is OTSJIVZTGWORPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-7(11)8(5(2)9)6(3)10/h5-6,9-10H,4H2,1-3H3.
What are the key properties of N,N-bis(1-hydroxyethyl)propanamide?
N,N-bis(1-hydroxyethyl)propanamide has a molecular weight of 161.20 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1-hydroxyethyl)propanamide is sourced from PubChem (CID 57036689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).