(2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide

C19H32N2O2 — CID 86813594

IUPAC(2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide
SMILESCC(C)COc1ccc(C(C)(C)CNC(=O)[C@@H](N)C(C)C)cc1
InChIInChI=1S/C19H32N2O2/c1-13(2)11-23-16-9-7-15(8-10-16)19(5,6)12-21-18(22)17(20)14(3)4/h7-10,13-14,17H,11-12,20H2,1-6H3,(H,21,22)/t17-/m0/s1
InChIKeyOPFSCEAGPCDHTE-KRWDZBQOSA-N
MW320.48 g/mol
LogP3.10
Rot. Bonds8

About (2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide

(2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide (PubChem CID 86813594) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide
PubChem CID86813594
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name(2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide
SMILESCC(C)COc1ccc(C(C)(C)CNC(=O)[C@@H](N)C(C)C)cc1
InChIInChI=1S/C19H32N2O2/c1-13(2)11-23-16-9-7-15(8-10-16)19(5,6)12-21-18(22)17(20)14(3)4/h7-10,13-14,17H,11-12,20H2,1-6H3,(H,21,22)/t17-/m0/s1
InChIKeyOPFSCEAGPCDHTE-KRWDZBQOSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride
CID 120500609
2-methyl-1-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide
CID 111107736
2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylpentanamide
CID 119758287
2-(cyclopropylmethylamino)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]acetamide
CID 119778674
N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 62595361
2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide
CID 120631655
2-[[ethylamino-[[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111839083
(2S)-2-amino-3,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide
CID 119815221
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 95445371
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]morpholine-2-carboxamide;hydrochloride
CID 119778685
1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide
CID 111544662
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride
CID 119320715

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide (CID 86813594) is (2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide is CC(C)COc1ccc(C(C)(C)CNC(=O)[C@@H](N)C(C)C)cc1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide?
The InChIKey is OPFSCEAGPCDHTE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-13(2)11-23-16-9-7-15(8-10-16)19(5,6)12-21-18(22)17(20)14(3)4/h7-10,13-14,17H,11-12,20H2,1-6H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide?
(2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide has a molecular weight of 320.48 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide is sourced from PubChem (CID 86813594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).