2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide

C19H30N2O2 — CID 113170458

IUPAC2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(C(C)=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-7-8-13-20(6)18(23)14-21(15(2)22)17-12-10-9-11-16(17)19(3,4)5/h9-12H,7-8,13-14H2,1-6H3
InChIKeyVDFTUUXWOCPFEC-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.60
Rot. Bonds6

About 2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide

2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide (PubChem CID 113170458) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide
PubChem CID113170458
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(C(C)=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-7-8-13-20(6)18(23)14-21(15(2)22)17-12-10-9-11-16(17)19(3,4)5/h9-12H,7-8,13-14H2,1-6H3
InChIKeyVDFTUUXWOCPFEC-UHFFFAOYSA-N
XLogP3.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-acetyl-2-methylanilino)-N-butyl-N-methylacetamide
CID 113167338
N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154582
2-(N-acetyl-2,3-dimethylanilino)-N-butyl-N-methylacetamide
CID 113168897
2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide
CID 113171731
2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide
CID 113177315
2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide
CID 113172969
2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide
CID 113167534
1-(2-tert-butyl-N-methylanilino)propan-2-one
CID 117029491
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
CID 113174995
2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide
CID 113168509
N-acetyl-N-(2-tert-butylphenyl)propanamide
CID 15889837
N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113170396

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide?
The IUPAC name of 2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide (CID 113170458) is 2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide?
The canonical SMILES for 2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide is CCCCN(C)C(=O)CN(C(C)=O)c1ccccc1C(C)(C)C.
What is the InChIKey of 2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide?
The InChIKey is VDFTUUXWOCPFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-7-8-13-20(6)18(23)14-21(15(2)22)17-12-10-9-11-16(17)19(3,4)5/h9-12H,7-8,13-14H2,1-6H3.
What are the key properties of 2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide?
2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide has a molecular weight of 318.46 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide is sourced from PubChem (CID 113170458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).