2-(3-tert-butylanilino)acetamide

C12H18N2O — CID 59090676

IUPAC2-(3-tert-butylanilino)acetamide
SMILESCC(C)(C)c1cccc(NCC(N)=O)c1
InChIInChI=1S/C12H18N2O/c1-12(2,3)9-5-4-6-10(7-9)14-8-11(13)15/h4-7,14H,8H2,1-3H3,(H2,13,15)
InChIKeyUKRAQQGGGOYUAI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.88
Rot. Bonds3

About 2-(3-tert-butylanilino)acetamide

2-(3-tert-butylanilino)acetamide (PubChem CID 59090676) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(3-tert-butylanilino)acetamide.

Molecular Properties

Compound Name2-(3-tert-butylanilino)acetamide
PubChem CID59090676
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(3-tert-butylanilino)acetamide
SMILESCC(C)(C)c1cccc(NCC(N)=O)c1
InChIInChI=1S/C12H18N2O/c1-12(2,3)9-5-4-6-10(7-9)14-8-11(13)15/h4-7,14H,8H2,1-3H3,(H2,13,15)
InChIKeyUKRAQQGGGOYUAI-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-tert-butylanilino)ethyl]acetamide
CID 59090695
2-(3-tert-butylanilino)-1-morpholin-4-ylethanone
CID 59090711
2-(3,4-dimethylanilino)acetamide
CID 28580413
2-[3-(2,4,4-trimethylpentan-2-yl)anilino]acetic acid
CID 151329473
1-N,3-N,5-N-tris(3-tert-butylphenyl)benzene-1,3,5-tricarboxamide
CID 67992144
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-(3-tert-butylphenyl)-2-methoxyacetamide
CID 59139856
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571798
3-tert-butyl-N-prop-2-enylaniline
CID 171478062
N-(3-tert-butylphenyl)prop-2-enamide
CID 59788882
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylanilino)acetamide?
The IUPAC name of 2-(3-tert-butylanilino)acetamide (CID 59090676) is 2-(3-tert-butylanilino)acetamide.
What is the SMILES notation for 2-(3-tert-butylanilino)acetamide?
The canonical SMILES for 2-(3-tert-butylanilino)acetamide is CC(C)(C)c1cccc(NCC(N)=O)c1.
What is the InChIKey of 2-(3-tert-butylanilino)acetamide?
The InChIKey is UKRAQQGGGOYUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)9-5-4-6-10(7-9)14-8-11(13)15/h4-7,14H,8H2,1-3H3,(H2,13,15).
What are the key properties of 2-(3-tert-butylanilino)acetamide?
2-(3-tert-butylanilino)acetamide has a molecular weight of 206.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylanilino)acetamide is sourced from PubChem (CID 59090676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).