N-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide

C22H30N2O4 — CID 54845108

IUPACN-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
SMILESCCOCCOc1cccc(NC(=O)CNCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C22H30N2O4/c1-4-26-12-13-27-21-7-5-6-19(14-21)24-22(25)16-23-15-18-8-10-20(11-9-18)28-17(2)3/h5-11,14,17,23H,4,12-13,15-16H2,1-3H3,(H,24,25)
InChIKeyAWVCCXBLODVHIP-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.62
Rot. Bonds12

About N-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide

N-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide (PubChem CID 54845108) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is N-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
PubChem CID54845108
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC NameN-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
SMILESCCOCCOc1cccc(NC(=O)CNCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C22H30N2O4/c1-4-26-12-13-27-21-7-5-6-19(14-21)24-22(25)16-23-15-18-8-10-20(11-9-18)28-17(2)3/h5-11,14,17,23H,4,12-13,15-16H2,1-3H3,(H,24,25)
InChIKeyAWVCCXBLODVHIP-UHFFFAOYSA-N
XLogP3.62
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)methylamino]-N-(3-propan-2-yloxyphenyl)acetamide
CID 54837882
2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 54811569
3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911154
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
N-butyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
CID 54845454
N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827552
N-(2,6-dimethylphenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845330
N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
3-[4-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845953
N-cyclohexyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
CID 54845258
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361
3-(2-ethoxyethoxy)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154941

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide?
The IUPAC name of N-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide (CID 54845108) is N-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide?
The canonical SMILES for N-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide is CCOCCOc1cccc(NC(=O)CNCc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of N-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide?
The InChIKey is AWVCCXBLODVHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-4-26-12-13-27-21-7-5-6-19(14-21)24-22(25)16-23-15-18-8-10-20(11-9-18)28-17(2)3/h5-11,14,17,23H,4,12-13,15-16H2,1-3H3,(H,24,25).
What are the key properties of N-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide?
N-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide has a molecular weight of 386.49 g/mol, XLogP of 3.62, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide is sourced from PubChem (CID 54845108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).