N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide

C12H16N2O3 — CID 134045690

IUPACN-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NC(C)C(N)=O)c1
InChIInChI=1S/C12H16N2O3/c1-8(11(13)15)14-12(16)10-5-3-4-9(6-10)7-17-2/h3-6,8H,7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyPQCOLVQQNZQDNO-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.44
Rot. Bonds5

About N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide

N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide (PubChem CID 134045690) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide
PubChem CID134045690
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NC(C)C(N)=O)c1
InChIInChI=1S/C12H16N2O3/c1-8(11(13)15)14-12(16)10-5-3-4-9(6-10)7-17-2/h3-6,8H,7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyPQCOLVQQNZQDNO-UHFFFAOYSA-N
XLogP0.44
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methoxymethyl)benzamide
CID 9470580
(2S,3R)-3-hydroxy-2-[[3-(methoxymethyl)benzoyl]amino]butanoic acid
CID 104964995
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-hydroxybenzamide
CID 171390389
(2S)-2-[[3-(methoxymethyl)benzoyl]amino]-3-methylpentanoic acid
CID 61172026
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70719311
(2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
CID 107829854
(2S)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
CID 61144055
N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
CID 93033627
3-(methoxymethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 31110060
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]benzoic acid
CID 43545835
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide
CID 103798708

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide (CID 134045690) is N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)NC(C)C(N)=O)c1.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide?
The InChIKey is PQCOLVQQNZQDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(11(13)15)14-12(16)10-5-3-4-9(6-10)7-17-2/h3-6,8H,7H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide?
N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide has a molecular weight of 236.27 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide is sourced from PubChem (CID 134045690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).