N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide

C12H19N3O2 — CID 120505863

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N[C@@H](C)CN
InChIInChI=1S/C12H19N3O2/c1-9(7-13)15-12(16)8-14-10-5-3-4-6-11(10)17-2/h3-6,9,14H,7-8,13H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyRALDPURVSOQQQQ-VIFPVBQESA-N
MW237.30 g/mol
LogP0.57
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide

N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide (PubChem CID 120505863) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide
PubChem CID120505863
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N[C@@H](C)CN
InChIInChI=1S/C12H19N3O2/c1-9(7-13)15-12(16)8-14-10-5-3-4-6-11(10)17-2/h3-6,9,14H,7-8,13H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyRALDPURVSOQQQQ-VIFPVBQESA-N
XLogP0.57
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55437645
N-(2-aminoethyl)-2-(2-methoxyanilino)acetamide
CID 119382687
2-(2-methoxyanilino)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96534561
N-(2-aminoethyl)-2-(2-methoxyanilino)acetamide;dihydrochloride
CID 119382686
2-N-(2-methoxyphenyl)propane-1,2-diamine
CID 65383995
N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide
CID 120504695
N-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride
CID 119405623
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54817342
2-(2-methoxyanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54817214
methyl 3-(2-methoxyanilino)-2-methylpropanoate
CID 43538383
1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide (CID 120505863) is N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide is COc1ccccc1NCC(=O)N[C@@H](C)CN.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide?
The InChIKey is RALDPURVSOQQQQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(7-13)15-12(16)8-14-10-5-3-4-6-11(10)17-2/h3-6,9,14H,7-8,13H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide?
N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 120505863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).