(2S)-2-amino-N'-(4-methoxyphenyl)-3-methylpentanehydrazide

C13H21N3O2 — CID 68721410

IUPAC(2S)-2-amino-N'-(4-methoxyphenyl)-3-methylpentanehydrazide
SMILESCCC(C)[C@H](N)C(=O)NNc1ccc(OC)cc1
InChIInChI=1S/C13H21N3O2/c1-4-9(2)12(14)13(17)16-15-10-5-7-11(18-3)8-6-10/h5-9,12,15H,4,14H2,1-3H3,(H,16,17)/t9?,12-/m0/s1
InChIKeyMSABZNLMUOSIAC-ACGXKRRESA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds6

About (2S)-2-amino-N'-(4-methoxyphenyl)-3-methylpentanehydrazide

(2S)-2-amino-N'-(4-methoxyphenyl)-3-methylpentanehydrazide (PubChem CID 68721410) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S)-2-amino-N'-(4-methoxyphenyl)-3-methylpentanehydrazide.

Molecular Properties

Compound Name(2S)-2-amino-N'-(4-methoxyphenyl)-3-methylpentanehydrazide
PubChem CID68721410
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2S)-2-amino-N'-(4-methoxyphenyl)-3-methylpentanehydrazide
SMILESCCC(C)[C@H](N)C(=O)NNc1ccc(OC)cc1
InChIInChI=1S/C13H21N3O2/c1-4-9(2)12(14)13(17)16-15-10-5-7-11(18-3)8-6-10/h5-9,12,15H,4,14H2,1-3H3,(H,16,17)/t9?,12-/m0/s1
InChIKeyMSABZNLMUOSIAC-ACGXKRRESA-N
XLogP1.51
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N'-(4-methoxyphenyl)propanehydrazide
CID 141429195
(2S)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
CID 22690831
2-amino-N-[3-(4-methoxyphenyl)butyl]-3-methylpentanamide
CID 119799848
2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylpentanamide
CID 119758287
methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 43700551
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883
2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119699304
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
2,3-dimethylpentyl N-(4-methoxyphenyl)carbamate
CID 155404047
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 43699664
(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 61172450

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N'-(4-methoxyphenyl)-3-methylpentanehydrazide?
The IUPAC name of (2S)-2-amino-N'-(4-methoxyphenyl)-3-methylpentanehydrazide (CID 68721410) is (2S)-2-amino-N'-(4-methoxyphenyl)-3-methylpentanehydrazide.
What is the SMILES notation for (2S)-2-amino-N'-(4-methoxyphenyl)-3-methylpentanehydrazide?
The canonical SMILES for (2S)-2-amino-N'-(4-methoxyphenyl)-3-methylpentanehydrazide is CCC(C)[C@H](N)C(=O)NNc1ccc(OC)cc1.
What is the InChIKey of (2S)-2-amino-N'-(4-methoxyphenyl)-3-methylpentanehydrazide?
The InChIKey is MSABZNLMUOSIAC-ACGXKRRESA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-9(2)12(14)13(17)16-15-10-5-7-11(18-3)8-6-10/h5-9,12,15H,4,14H2,1-3H3,(H,16,17)/t9?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N'-(4-methoxyphenyl)-3-methylpentanehydrazide?
(2S)-2-amino-N'-(4-methoxyphenyl)-3-methylpentanehydrazide has a molecular weight of 251.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N'-(4-methoxyphenyl)-3-methylpentanehydrazide is sourced from PubChem (CID 68721410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).