N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide

C20H24N2O3 — CID 110794193

IUPACN-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCOc1cc(C(C)C)ccc1CNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-14(2)16-9-10-17(18(11-16)25-3)12-21-19(23)13-22-20(24)15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYTORPXDVPSJHID-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.86
Rot. Bonds7

About N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide

N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 110794193) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID110794193
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCOc1cc(C(C)C)ccc1CNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-14(2)16-9-10-17(18(11-16)25-3)12-21-19(23)13-22-20(24)15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYTORPXDVPSJHID-UHFFFAOYSA-N
XLogP2.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide
CID 110793670
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194650
2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide
CID 115152376
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide
CID 110782905
ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate
CID 110782911
N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9246288
1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one
CID 115234731
2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide
CID 110769385
3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9246284
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
2-hydroxy-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 94687136
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 110780628

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide (CID 110794193) is N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide is COc1cc(C(C)C)ccc1CNC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is YTORPXDVPSJHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)16-9-10-17(18(11-16)25-3)12-21-19(23)13-22-20(24)15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide?
N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 110794193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).