N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide

C18H20N2O3 — CID 124854866

IUPACN-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide
SMILESCOCc1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13(19-18(22)15-6-4-3-5-7-15)17(21)20-16-10-8-14(9-11-16)12-23-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyYAFVDDAEPFHZTP-ZDUSSCGKSA-N
MW312.37 g/mol
LogP2.59
Rot. Bonds6

About N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide

N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide (PubChem CID 124854866) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide
PubChem CID124854866
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide
SMILESCOCc1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13(19-18(22)15-6-4-3-5-7-15)17(21)20-16-10-8-14(9-11-16)12-23-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyYAFVDDAEPFHZTP-ZDUSSCGKSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(methoxymethyl)benzamide
CID 8751184
N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 24636992
propyl 4-(2-benzamidopropanoylamino)benzoate
CID 55339167
N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide
CID 49415661
N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 2712885
benzyl N-[(2S)-1-[4-(methoxymethyl)anilino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 119049690
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
4-(methoxymethyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38196484
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94032624
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide (CID 124854866) is N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide is COCc1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide?
The InChIKey is YAFVDDAEPFHZTP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(19-18(22)15-6-4-3-5-7-15)17(21)20-16-10-8-14(9-11-16)12-23-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide?
N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 124854866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).