N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide

C15H23NO4 — CID 60653323

IUPACN,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)N(CCO)CCO)c1
InChIInChI=1S/C15H23NO4/c1-13-4-2-5-14(12-13)20-11-3-6-15(19)16(7-9-17)8-10-18/h2,4-5,12,17-18H,3,6-11H2,1H3
InChIKeyODMWQILLIKPMQU-UHFFFAOYSA-N
MW281.35 g/mol
LogP0.97
Rot. Bonds9

About N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide

N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide (PubChem CID 60653323) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide
PubChem CID60653323
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)N(CCO)CCO)c1
InChIInChI=1S/C15H23NO4/c1-13-4-2-5-14(12-13)20-11-3-6-15(19)16(7-9-17)8-10-18/h2,4-5,12,17-18H,3,6-11H2,1H3
InChIKeyODMWQILLIKPMQU-UHFFFAOYSA-N
XLogP0.97
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-3-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 103915390
2-[ethyl-[4-(3-methylphenoxy)butanoyl]amino]acetic acid
CID 61022486
N-(2-hydroxyethyl)-3-(3-methylphenoxy)-N-propan-2-ylpropanamide
CID 43573145
4-(3-methylphenoxy)butanoyl bromide
CID 21330549
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
N,N-bis(2-methoxyethyl)-2-(3-methylphenoxy)acetamide
CID 78762157
3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902504
1-hydroxy-4-(3-methylphenoxy)butan-2-one
CID 95437359
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide
CID 86841292
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide (CID 60653323) is N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide is Cc1cccc(OCCCC(=O)N(CCO)CCO)c1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide?
The InChIKey is ODMWQILLIKPMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-13-4-2-5-14(12-13)20-11-3-6-15(19)16(7-9-17)8-10-18/h2,4-5,12,17-18H,3,6-11H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide?
N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide has a molecular weight of 281.35 g/mol, XLogP of 0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 60653323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).