3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide

C16H26N2O — CID 115154967

IUPAC3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide
SMILESCCC(C)c1ccc(CNC(=O)CC(C)(C)N)cc1
InChIInChI=1S/C16H26N2O/c1-5-12(2)14-8-6-13(7-9-14)11-18-15(19)10-16(3,4)17/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19)
InChIKeyQESGRNDUNCFUBF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.94
Rot. Bonds6

About 3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide

3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide (PubChem CID 115154967) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide
PubChem CID115154967
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide
SMILESCCC(C)c1ccc(CNC(=O)CC(C)(C)N)cc1
InChIInChI=1S/C16H26N2O/c1-5-12(2)14-8-6-13(7-9-14)11-18-15(19)10-16(3,4)17/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19)
InChIKeyQESGRNDUNCFUBF-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 64686332
N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide
CID 115178737
N-[(4-butan-2-ylphenyl)methyl]-3-sulfanylpropanamide
CID 115167832
2-[(4-butan-2-ylphenyl)methylamino]-2-oxoacetic acid
CID 115141302
3-amino-3-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 64679667
1-[(4-butan-2-ylphenyl)methyl]-3-propylurea
CID 110774875
1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine
CID 82126382
3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115154989
3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide
CID 64678600
3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 64677992
3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide
CID 71731035
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide
CID 115154979

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide?
The IUPAC name of 3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide (CID 115154967) is 3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide is CCC(C)c1ccc(CNC(=O)CC(C)(C)N)cc1.
What is the InChIKey of 3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide?
The InChIKey is QESGRNDUNCFUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-12(2)14-8-6-13(7-9-14)11-18-15(19)10-16(3,4)17/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide?
3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 115154967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).