2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide

C18H29N3O2 — CID 113159160

IUPAC2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide
SMILESCCC(C)N(CC(=O)Nc1ccc(N(CC)CC)cc1)C(C)=O
InChIInChI=1S/C18H29N3O2/c1-6-14(4)21(15(5)22)13-18(23)19-16-9-11-17(12-10-16)20(7-2)8-3/h9-12,14H,6-8,13H2,1-5H3,(H,19,23)
InChIKeyKGBWYZVNTDULSX-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.12
Rot. Bonds8

About 2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide

2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide (PubChem CID 113159160) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide
PubChem CID113159160
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide
SMILESCCC(C)N(CC(=O)Nc1ccc(N(CC)CC)cc1)C(C)=O
InChIInChI=1S/C18H29N3O2/c1-6-14(4)21(15(5)22)13-18(23)19-16-9-11-17(12-10-16)20(7-2)8-3/h9-12,14H,6-8,13H2,1-5H3,(H,19,23)
InChIKeyKGBWYZVNTDULSX-UHFFFAOYSA-N
XLogP3.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.12
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-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113162089
2-[acetyl(butan-2-yl)amino]-N-(4-cyanophenyl)acetamide
CID 113159199
N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266
2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113169714
2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide
CID 110674963
2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113168581
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045
3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide
CID 113116226
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 27133835
3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide
CID 113116212
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide?
The IUPAC name of 2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide (CID 113159160) is 2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide?
The canonical SMILES for 2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide is CCC(C)N(CC(=O)Nc1ccc(N(CC)CC)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide?
The InChIKey is KGBWYZVNTDULSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-6-14(4)21(15(5)22)13-18(23)19-16-9-11-17(12-10-16)20(7-2)8-3/h9-12,14H,6-8,13H2,1-5H3,(H,19,23).
What are the key properties of 2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide?
2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 113159160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).