N-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide

C22H29N3O4 — CID 54827316

IUPACN-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide
SMILESCCOCCOc1ccccc1NCC(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C22H29N3O4/c1-4-28-13-14-29-20-8-6-5-7-19(20)23-15-21(26)24-17-9-11-18(12-10-17)25-22(27)16(2)3/h5-12,16,23H,4,13-15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyBWZXYDYPNQRSBD-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.75
Rot. Bonds11

About N-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide

N-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 54827316) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID54827316
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide
SMILESCCOCCOc1ccccc1NCC(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C22H29N3O4/c1-4-28-13-14-29-20-8-6-5-7-19(20)23-15-21(26)24-17-9-11-18(12-10-17)25-22(27)16(2)3/h5-12,16,23H,4,13-15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyBWZXYDYPNQRSBD-UHFFFAOYSA-N
XLogP3.75
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827505
2-[2-(2-ethoxyethoxy)anilino]-N-(4-propoxyphenyl)acetamide
CID 54827535
2-methyl-N-[4-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827227
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817227
N-(3,5-dichlorophenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827277
N-[2-(2-ethoxyethoxy)phenyl]-2-(2-methoxyanilino)acetamide
CID 54817500
2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54827411
2-[2-(2-ethoxyethoxy)anilino]-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54827379
N-[2-(2-ethoxyethoxy)phenyl]-2-(2-phenylmethoxyanilino)acetamide
CID 54827988
N-(3-chloro-2-methylphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827342
N-(2,3-dichlorophenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827691
2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide
CID 54827601

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide (CID 54827316) is N-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide is CCOCCOc1ccccc1NCC(=O)Nc1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of N-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is BWZXYDYPNQRSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-4-28-13-14-29-20-8-6-5-7-19(20)23-15-21(26)24-17-9-11-18(12-10-17)25-22(27)16(2)3/h5-12,16,23H,4,13-15H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide?
N-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 399.49 g/mol, XLogP of 3.75, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54827316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).