2-(3-propan-2-ylanilino)butanamide

C13H20N2O — CID 62900215

IUPAC2-(3-propan-2-ylanilino)butanamide
SMILESCCC(Nc1cccc(C(C)C)c1)C(N)=O
InChIInChI=1S/C13H20N2O/c1-4-12(13(14)16)15-11-7-5-6-10(8-11)9(2)3/h5-9,12,15H,4H2,1-3H3,(H2,14,16)
InChIKeyDWYDODLAUNJQOF-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.49
Rot. Bonds5

About 2-(3-propan-2-ylanilino)butanamide

2-(3-propan-2-ylanilino)butanamide (PubChem CID 62900215) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(3-propan-2-ylanilino)butanamide.

Molecular Properties

Compound Name2-(3-propan-2-ylanilino)butanamide
PubChem CID62900215
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(3-propan-2-ylanilino)butanamide
SMILESCCC(Nc1cccc(C(C)C)c1)C(N)=O
InChIInChI=1S/C13H20N2O/c1-4-12(13(14)16)15-11-7-5-6-10(8-11)9(2)3/h5-9,12,15H,4H2,1-3H3,(H2,14,16)
InChIKeyDWYDODLAUNJQOF-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-2-(3-propan-2-ylanilino)acetamide
CID 33474317
2-(3-thiophen-3-ylanilino)butanamide
CID 56788857
2-phenyl-2-(3-propan-2-ylanilino)acetic acid
CID 21063795
N-heptan-3-yl-3-propan-2-ylaniline
CID 63946892
2-(3-bromoanilino)pentanamide
CID 61005208
2-(1-phenylethylamino)butanamide
CID 62899453
methyl 2-methyl-3-(3-propan-2-ylanilino)butanoate
CID 79391945
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 81382347
2-amino-N-(3-propan-2-ylphenyl)pentanamide
CID 43650216
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide
CID 81365724
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide
CID 81372858
2-N-(3-propan-2-ylphenyl)propane-1,2-diamine
CID 103387503

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylanilino)butanamide?
The IUPAC name of 2-(3-propan-2-ylanilino)butanamide (CID 62900215) is 2-(3-propan-2-ylanilino)butanamide.
What is the SMILES notation for 2-(3-propan-2-ylanilino)butanamide?
The canonical SMILES for 2-(3-propan-2-ylanilino)butanamide is CCC(Nc1cccc(C(C)C)c1)C(N)=O.
What is the InChIKey of 2-(3-propan-2-ylanilino)butanamide?
The InChIKey is DWYDODLAUNJQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-12(13(14)16)15-11-7-5-6-10(8-11)9(2)3/h5-9,12,15H,4H2,1-3H3,(H2,14,16).
What are the key properties of 2-(3-propan-2-ylanilino)butanamide?
2-(3-propan-2-ylanilino)butanamide has a molecular weight of 220.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylanilino)butanamide is sourced from PubChem (CID 62900215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).