N-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide

C20H33NO4 — CID 134270850

IUPACN-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCCCCOCCOCCNC(=O)CCc1ccc(OC(C)C)cc1
InChIInChI=1S/C20H33NO4/c1-4-5-13-23-15-16-24-14-12-21-20(22)11-8-18-6-9-19(10-7-18)25-17(2)3/h6-7,9-10,17H,4-5,8,11-16H2,1-3H3,(H,21,22)
InChIKeyOUFVRURKYNOJSK-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.36
Rot. Bonds14

About N-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide

N-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 134270850) has the molecular formula C20H33NO4 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide
PubChem CID134270850
Molecular FormulaC20H33NO4
Molecular Weight351.49 g/mol
Exact Mass351.24
IUPAC NameN-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCCCCOCCOCCNC(=O)CCc1ccc(OC(C)C)cc1
InChIInChI=1S/C20H33NO4/c1-4-5-13-23-15-16-24-14-12-21-20(22)11-8-18-6-9-19(10-7-18)25-17(2)3/h6-7,9-10,17H,4-5,8,11-16H2,1-3H3,(H,21,22)
InChIKeyOUFVRURKYNOJSK-UHFFFAOYSA-N
XLogP3.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid
CID 94966713
N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 170371171
N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide
CID 54792167
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 33155420
N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 173014561
3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide
CID 127122247
N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide
CID 171843476
N-(3-ethoxypropyl)-3-(4-ethylphenyl)propanamide
CID 78794718
2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid
CID 79457335
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of N-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide (CID 134270850) is N-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for N-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for N-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide is CCCCOCCOCCNC(=O)CCc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is OUFVRURKYNOJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4/c1-4-5-13-23-15-16-24-14-12-21-20(22)11-8-18-6-9-19(10-7-18)25-17(2)3/h6-7,9-10,17H,4-5,8,11-16H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide?
N-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 351.49 g/mol, XLogP of 3.36, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 134270850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).