(2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide

C16H27N3O — CID 104984289

IUPAC(2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
SMILESCN(C)CCCCNC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C16H27N3O/c1-19(2)13-7-6-12-18-16(20)15(17)11-10-14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13,17H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyJGHQAZZWFPZOSG-HNNXBMFYSA-N
MW277.41 g/mol
LogP1.40
Rot. Bonds9

About (2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide

(2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide (PubChem CID 104984289) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
PubChem CID104984289
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
SMILESCN(C)CCCCNC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C16H27N3O/c1-19(2)13-7-6-12-18-16(20)15(17)11-10-14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13,17H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyJGHQAZZWFPZOSG-HNNXBMFYSA-N
XLogP1.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.40
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

2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide
CID 114928129
(2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide
CID 104984699
2-amino-N-[2-(diethylamino)ethyl]-4-phenylbutanamide
CID 114924642
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
(2S)-2-amino-N-(5-hydroxy-4-methylpentyl)-4-phenylbutanamide
CID 106161296
2-amino-N-(5-phenylpentyl)pentanamide;hydrochloride
CID 119317079
2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride
CID 119852800
2-amino-N-[3-(methanesulfonamido)propyl]-4-phenylbutanamide
CID 106336413
(2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide
CID 103831986
(2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide
CID 104984735
(2S)-2-amino-N-(3-phenylpropyl)butanamide
CID 79024488
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide (CID 104984289) is (2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide is CN(C)CCCCNC(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide?
The InChIKey is JGHQAZZWFPZOSG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-19(2)13-7-6-12-18-16(20)15(17)11-10-14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13,17H2,1-2H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide?
(2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide has a molecular weight of 277.41 g/mol, XLogP of 1.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide is sourced from PubChem (CID 104984289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).