2-methoxy-N-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]benzamide

C19H21N3O5 — CID 9110835

IUPAC2-methoxy-N-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]benzamide
SMILESCNC(=O)NC(=O)[C@H](C)Oc1ccc(NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C19H21N3O5/c1-12(17(23)22-19(25)20-2)27-14-10-8-13(9-11-14)21-18(24)15-6-4-5-7-16(15)26-3/h4-12H,1-3H3,(H,21,24)(H2,20,22,23,25)/t12-/m0/s1
InChIKeyWRKAHYXEVBXGOJ-LBPRGKRZSA-N
MW371.39 g/mol
LogP2.17
Rot. Bonds6

About 2-methoxy-N-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]benzamide

2-methoxy-N-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]benzamide (PubChem CID 9110835) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-methoxy-N-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]benzamide
PubChem CID9110835
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-methoxy-N-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]benzamide
SMILESCNC(=O)NC(=O)[C@H](C)Oc1ccc(NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C19H21N3O5/c1-12(17(23)22-19(25)20-2)27-14-10-8-13(9-11-14)21-18(24)15-6-4-5-7-16(15)26-3/h4-12H,1-3H3,(H,21,24)(H2,20,22,23,25)/t12-/m0/s1
InChIKeyWRKAHYXEVBXGOJ-LBPRGKRZSA-N
XLogP2.17
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide
CID 9453044
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2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084667
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 7982678
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479
N-(methylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625654
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide
CID 17130584
N-(4-fluorophenyl)-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7312062
2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110505830
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]benzamide (CID 9110835) is 2-methoxy-N-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]benzamide is CNC(=O)NC(=O)[C@H](C)Oc1ccc(NC(=O)c2ccccc2OC)cc1.
What is the InChIKey of 2-methoxy-N-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]benzamide?
The InChIKey is WRKAHYXEVBXGOJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-12(17(23)22-19(25)20-2)27-14-10-8-13(9-11-14)21-18(24)15-6-4-5-7-16(15)26-3/h4-12H,1-3H3,(H,21,24)(H2,20,22,23,25)/t12-/m0/s1.
What are the key properties of 2-methoxy-N-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]benzamide?
2-methoxy-N-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]benzamide has a molecular weight of 371.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]benzamide is sourced from PubChem (CID 9110835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).