N-butyl-N-(2-hydroxyethyl)-3-(2-phenylethoxy)propanamide

C17H27NO3 — CID 59224592

IUPACN-butyl-N-(2-hydroxyethyl)-3-(2-phenylethoxy)propanamide
SMILESCCCCN(CCO)C(=O)CCOCCc1ccccc1
InChIInChI=1S/C17H27NO3/c1-2-3-11-18(12-13-19)17(20)10-15-21-14-9-16-7-5-4-6-8-16/h4-8,19H,2-3,9-15H2,1H3
InChIKeyNRKWVPYSNFZGAW-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.26
Rot. Bonds11

About N-butyl-N-(2-hydroxyethyl)-3-(2-phenylethoxy)propanamide

N-butyl-N-(2-hydroxyethyl)-3-(2-phenylethoxy)propanamide (PubChem CID 59224592) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-3-(2-phenylethoxy)propanamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-3-(2-phenylethoxy)propanamide
PubChem CID59224592
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-butyl-N-(2-hydroxyethyl)-3-(2-phenylethoxy)propanamide
SMILESCCCCN(CCO)C(=O)CCOCCc1ccccc1
InChIInChI=1S/C17H27NO3/c1-2-3-11-18(12-13-19)17(20)10-15-21-14-9-16-7-5-4-6-8-16/h4-8,19H,2-3,9-15H2,1H3
InChIKeyNRKWVPYSNFZGAW-UHFFFAOYSA-N
XLogP2.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
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-butyl-N-(2-hydroxyethyl)-3-(2-phenylethoxy)propanamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-3-(2-phenylethoxy)propanamide (CID 59224592) is N-butyl-N-(2-hydroxyethyl)-3-(2-phenylethoxy)propanamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-3-(2-phenylethoxy)propanamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-3-(2-phenylethoxy)propanamide is CCCCN(CCO)C(=O)CCOCCc1ccccc1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-3-(2-phenylethoxy)propanamide?
The InChIKey is NRKWVPYSNFZGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-3-11-18(12-13-19)17(20)10-15-21-14-9-16-7-5-4-6-8-16/h4-8,19H,2-3,9-15H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-3-(2-phenylethoxy)propanamide?
N-butyl-N-(2-hydroxyethyl)-3-(2-phenylethoxy)propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.26, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-3-(2-phenylethoxy)propanamide is sourced from PubChem (CID 59224592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).