(2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide

C12H19N3O — CID 104984735

IUPAC(2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide
SMILESCN(C)NC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C12H19N3O/c1-15(2)14-12(16)11(13)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9,13H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeySKENSGCDTDELBN-NSHDSACASA-N
MW221.30 g/mol
LogP0.54
Rot. Bonds5

About (2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide

(2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide (PubChem CID 104984735) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide.

Molecular Properties

Compound Name(2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide
PubChem CID104984735
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide
SMILESCN(C)NC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C12H19N3O/c1-15(2)14-12(16)11(13)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9,13H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeySKENSGCDTDELBN-NSHDSACASA-N
XLogP0.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide
CID 114928129
(2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 104984289
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
2-amino-4-phenyl-N-phenylmethoxybutanamide
CID 76637297
acetic acid;methyl (2S)-2-amino-4-phenylbutanoate
CID 170899372
2-amino-N-but-2-ynyl-4-phenylbutanamide
CID 114929350

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide?
The IUPAC name of (2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide (CID 104984735) is (2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide.
What is the SMILES notation for (2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide?
The canonical SMILES for (2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide is CN(C)NC(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide?
The InChIKey is SKENSGCDTDELBN-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O/c1-15(2)14-12(16)11(13)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9,13H2,1-2H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide?
(2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide has a molecular weight of 221.30 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide is sourced from PubChem (CID 104984735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).