2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide

C16H25NO3 — CID 134042472

IUPAC2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCOCC(C)C
InChIInChI=1S/C16H25NO3/c1-4-20-15-9-6-5-8-14(15)16(18)17-10-7-11-19-12-13(2)3/h5-6,8-9,13H,4,7,10-12H2,1-3H3,(H,17,18)
InChIKeyQESASPHPAWQOTR-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.88
Rot. Bonds9

About 2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide

2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide (PubChem CID 134042472) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide
PubChem CID134042472
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCOCC(C)C
InChIInChI=1S/C16H25NO3/c1-4-20-15-9-6-5-8-14(15)16(18)17-10-7-11-19-12-13(2)3/h5-6,8-9,13H,4,7,10-12H2,1-3H3,(H,17,18)
InChIKeyQESASPHPAWQOTR-UHFFFAOYSA-N
XLogP2.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.88
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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Related Compounds

N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103876954
2-ethoxy-N-pent-4-ynylbenzamide
CID 103709030
2-[(4-chlorophenyl)methoxy]-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533123
N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide
CID 106245092
N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride
CID 119407971
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide?
The IUPAC name of 2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide (CID 134042472) is 2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide is CCOc1ccccc1C(=O)NCCCOCC(C)C.
What is the InChIKey of 2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide?
The InChIKey is QESASPHPAWQOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-20-15-9-6-5-8-14(15)16(18)17-10-7-11-19-12-13(2)3/h5-6,8-9,13H,4,7,10-12H2,1-3H3,(H,17,18).
What are the key properties of 2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide?
2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide has a molecular weight of 279.38 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide is sourced from PubChem (CID 134042472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).