N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide

C18H20N2O3 — CID 18159105

IUPACN-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccccc1CNC(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13(20-18(22)14-8-4-3-5-9-14)17(21)19-12-15-10-6-7-11-16(15)23-2/h3-11,13H,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXJWBAJDYXKFWRE-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.13
Rot. Bonds6

About N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide

N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 18159105) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID18159105
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccccc1CNC(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13(20-18(22)14-8-4-3-5-9-14)17(21)19-12-15-10-6-7-11-16(15)23-2/h3-11,13H,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXJWBAJDYXKFWRE-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
4-methoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4799536
(2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9270227
4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 2713277
N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4801412
(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9445893
N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 9209715
N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide
CID 71491154
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
N-[(2S)-1-[8-[[(2S)-2-benzamidopropanoyl]amino]octylamino]-1-oxopropan-2-yl]benzamide
CID 71491217
(2R)-N-ethyl-2-[[2-(2-methoxyphenyl)acetyl]amino]propanamide
CID 8751746

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide (CID 18159105) is N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide is COc1ccccc1CNC(=O)C(C)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is XJWBAJDYXKFWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(20-18(22)14-8-4-3-5-9-14)17(21)19-12-15-10-6-7-11-16(15)23-2/h3-11,13H,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide?
N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 18159105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).