3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide

C16H26N2O — CID 65269650

IUPAC3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-15(2,16(3,4)17)14(19)18-12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,8,11-12,17H2,1-4H3,(H,18,19)
InChIKeyJPXDQOBOAIAUOC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds6

About 3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide

3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide (PubChem CID 65269650) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide
PubChem CID65269650
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-15(2,16(3,4)17)14(19)18-12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,8,11-12,17H2,1-4H3,(H,18,19)
InChIKeyJPXDQOBOAIAUOC-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-N-(5-phenylpentyl)propanamide
CID 119317062
2-amino-2-methyl-N-(5-phenylpentyl)propanamide;hydrochloride
CID 119317061
2-amino-2-methyl-N-(3-phenylpropyl)pentanamide;hydrochloride
CID 119674817
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108960228
2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide
CID 155557565
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965035
2-amino-2-methyl-N-(2-phenylethyl)butanamide
CID 73062281
3-phenylpropylurea;hydrochloride
CID 174579396
N-(2-aminoethyl)-2,2-dimethyl-5-phenylpentanamide
CID 119382289
(2S)-2-cyano-3,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 100971597
3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide
CID 166390711
3,3-dimethyl-2-(3-phenylpropylcarbamoylamino)butanoic acid
CID 61205206

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide (CID 65269650) is 3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide is CC(C)(N)C(C)(C)C(=O)NCCCc1ccccc1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide?
The InChIKey is JPXDQOBOAIAUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-15(2,16(3,4)17)14(19)18-12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,8,11-12,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide?
3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide has a molecular weight of 262.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide is sourced from PubChem (CID 65269650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).