4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide

C17H28N2O2 — CID 106011430

IUPAC4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide
SMILESCC(C)OCCCCNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(2)21-13-7-6-12-19-17(20)11-10-16(18)15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,19,20)
InChIKeyACAXIJBNTWOMSV-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.79
Rot. Bonds10

About 4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide

4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide (PubChem CID 106011430) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide.

Molecular Properties

Compound Name4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide
PubChem CID106011430
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide
SMILESCC(C)OCCCCNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(2)21-13-7-6-12-19-17(20)11-10-16(18)15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,19,20)
InChIKeyACAXIJBNTWOMSV-UHFFFAOYSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
CID 63324390
4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 63323737
4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide
CID 63323905
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848
4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 120558859
4-amino-N-(2-methoxypropyl)-4-phenylbutanamide
CID 102695108
N-(3-amino-3-phenylpropyl)octanamide
CID 80506646
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide
CID 17475127
3-(2-aminophenyl)-N-(3-propan-2-yloxypropyl)propanamide
CID 107272988
3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
CID 106006137

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide?
The IUPAC name of 4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide (CID 106011430) is 4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide.
What is the SMILES notation for 4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide?
The canonical SMILES for 4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide is CC(C)OCCCCNC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide?
The InChIKey is ACAXIJBNTWOMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)21-13-7-6-12-19-17(20)11-10-16(18)15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide?
4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide has a molecular weight of 292.42 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide is sourced from PubChem (CID 106011430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).