4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide

C19H30N2O — CID 119312423

IUPAC4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide
SMILESCC(C)(C)c1ccc(C2(CNC(=O)CCCN)CCC2)cc1
InChIInChI=1S/C19H30N2O/c1-18(2,3)15-7-9-16(10-8-15)19(11-5-12-19)14-21-17(22)6-4-13-20/h7-10H,4-6,11-14,20H2,1-3H3,(H,21,22)
InChIKeyUNEXMMMFPYLKNN-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.26
Rot. Bonds6

About 4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide

4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide (PubChem CID 119312423) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide
PubChem CID119312423
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide
SMILESCC(C)(C)c1ccc(C2(CNC(=O)CCCN)CCC2)cc1
InChIInChI=1S/C19H30N2O/c1-18(2,3)15-7-9-16(10-8-15)19(11-5-12-19)14-21-17(22)6-4-13-20/h7-10H,4-6,11-14,20H2,1-3H3,(H,21,22)
InChIKeyUNEXMMMFPYLKNN-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide (CID 119312423) is 4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide is CC(C)(C)c1ccc(C2(CNC(=O)CCCN)CCC2)cc1.
What is the InChIKey of 4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide?
The InChIKey is UNEXMMMFPYLKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-18(2,3)15-7-9-16(10-8-15)19(11-5-12-19)14-21-17(22)6-4-13-20/h7-10H,4-6,11-14,20H2,1-3H3,(H,21,22).
What are the key properties of 4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide?
4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide has a molecular weight of 302.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]butanamide is sourced from PubChem (CID 119312423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).