(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide

C12H18N2O2 — CID 40788880

IUPAC(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
SMILESCC[C@H](C)C(=O)Nc1ccc(OC)cc1N
InChIInChI=1S/C12H18N2O2/c1-4-8(2)12(15)14-11-6-5-9(16-3)7-10(11)13/h5-8H,4,13H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyDRVSHSGIAPRYAD-QMMMGPOBSA-N
MW222.29 g/mol
LogP2.26
Rot. Bonds4

About (2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide

(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide (PubChem CID 40788880) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
PubChem CID40788880
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
SMILESCC[C@H](C)C(=O)Nc1ccc(OC)cc1N
InChIInChI=1S/C12H18N2O2/c1-4-8(2)12(15)14-11-6-5-9(16-3)7-10(11)13/h5-8H,4,13H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyDRVSHSGIAPRYAD-QMMMGPOBSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methoxyphenyl)-2-(diethylamino)propanamide
CID 16779414
(2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide
CID 40788863
N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide
CID 43549148
N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005336
N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide
CID 43188465
N-(2-amino-4-methoxyphenyl)-2-[ethyl(2-methoxyethyl)amino]propanamide
CID 61444389
1-(2-amino-4-methoxyphenyl)-3-propylurea
CID 28785607
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569639
N-(2-amino-4-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)propanamide
CID 79683036
N-(2-amino-4-methoxyphenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide
CID 63954097
N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide
CID 61286623

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide?
The IUPAC name of (2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide (CID 40788880) is (2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide.
What is the SMILES notation for (2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide?
The canonical SMILES for (2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide is CC[C@H](C)C(=O)Nc1ccc(OC)cc1N.
What is the InChIKey of (2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide?
The InChIKey is DRVSHSGIAPRYAD-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-8(2)12(15)14-11-6-5-9(16-3)7-10(11)13/h5-8H,4,13H2,1-3H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide?
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide has a molecular weight of 222.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide is sourced from PubChem (CID 40788880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).