N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide

C14H22N2O2 — CID 131998525

IUPACN-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccccc1C(=O)N(C)[C@H](CN)C(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)12(9-15)16(3)14(17)11-7-5-6-8-13(11)18-4/h5-8,10,12H,9,15H2,1-4H3/t12-/m1/s1
InChIKeyMQSUINYJGAXJSU-GFCCVEGCSA-N
MW250.34 g/mol
LogP1.75
Rot. Bonds5

About N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide

N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide (PubChem CID 131998525) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide
PubChem CID131998525
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccccc1C(=O)N(C)[C@H](CN)C(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)12(9-15)16(3)14(17)11-7-5-6-8-13(11)18-4/h5-8,10,12H,9,15H2,1-4H3/t12-/m1/s1
InChIKeyMQSUINYJGAXJSU-GFCCVEGCSA-N
XLogP1.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-3-methylbutan-2-yl]-N,1-dimethylindole-3-carboxamide
CID 118928461
2-methoxy-N-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide
CID 95171532
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide
CID 54856631
3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 82324930
N-(2-hydroxyethyl)-N-(2-hydroxypropyl)-2-methoxybenzamide
CID 112508973
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid
CID 50877562
5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one
CID 116613631
N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide
CID 104556591
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 54998473

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide?
The IUPAC name of N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide (CID 131998525) is N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide is COc1ccccc1C(=O)N(C)[C@H](CN)C(C)C.
What is the InChIKey of N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide?
The InChIKey is MQSUINYJGAXJSU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)12(9-15)16(3)14(17)11-7-5-6-8-13(11)18-4/h5-8,10,12H,9,15H2,1-4H3/t12-/m1/s1.
What are the key properties of N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide?
N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 131998525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).