2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide

C23H31N3O2 — CID 113169714

IUPAC2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN(C(C)=O)c2ccccc2C(C)C)cc1
InChIInChI=1S/C23H31N3O2/c1-6-25(7-2)20-14-12-19(13-15-20)24-23(28)16-26(18(5)27)22-11-9-8-10-21(22)17(3)4/h8-15,17H,6-7,16H2,1-5H3,(H,24,28)
InChIKeyMJNITPNNRMVJGT-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.65
Rot. Bonds8

About 2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide

2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide (PubChem CID 113169714) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide
PubChem CID113169714
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN(C(C)=O)c2ccccc2C(C)C)cc1
InChIInChI=1S/C23H31N3O2/c1-6-25(7-2)20-14-12-19(13-15-20)24-23(28)16-26(18(5)27)22-11-9-8-10-21(22)17(3)4/h8-15,17H,6-7,16H2,1-5H3,(H,24,28)
InChIKeyMJNITPNNRMVJGT-UHFFFAOYSA-N
XLogP4.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide
CID 113169682
2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113169742
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113178618
2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113168581
2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113162089
2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113159160
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 113131897
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide
CID 113180480
2-(N-acetyl-2-ethylanilino)-N-phenylacetamide
CID 113169100
2-(N-acetyl-4-propan-2-ylanilino)-N-phenylacetamide
CID 113169827
2-(N-acetyl-2-methylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113167364
N-(4-acetamidophenyl)-2-(N-acetyl-2-ethoxyanilino)acetamide
CID 113173812

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide (CID 113169714) is 2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(NC(=O)CN(C(C)=O)c2ccccc2C(C)C)cc1.
What is the InChIKey of 2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide?
The InChIKey is MJNITPNNRMVJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-6-25(7-2)20-14-12-19(13-15-20)24-23(28)16-26(18(5)27)22-11-9-8-10-21(22)17(3)4/h8-15,17H,6-7,16H2,1-5H3,(H,24,28).
What are the key properties of 2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide?
2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 113169714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).