N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide

C20H24N2O4 — CID 94592415

IUPACN-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1cccc(OC)c1
InChIInChI=1S/C20H24N2O4/c1-4-14(2)21-20(24)17-10-5-6-11-18(17)22-19(23)13-26-16-9-7-8-15(12-16)25-3/h5-12,14H,4,13H2,1-3H3,(H,21,24)(H,22,23)/t14-/m1/s1
InChIKeyTWTHKXNFIHKAMN-CQSZACIVSA-N
MW356.42 g/mol
LogP3.24
Rot. Bonds8

About N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide

N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide (PubChem CID 94592415) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
PubChem CID94592415
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1cccc(OC)c1
InChIInChI=1S/C20H24N2O4/c1-4-14(2)21-20(24)17-10-5-6-11-18(17)22-19(23)13-26-16-9-7-8-15(12-16)25-3/h5-12,14H,4,13H2,1-3H3,(H,21,24)(H,22,23)/t14-/m1/s1
InChIKeyTWTHKXNFIHKAMN-CQSZACIVSA-N
XLogP3.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide (CID 94592415) is N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide is CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1cccc(OC)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide?
The InChIKey is TWTHKXNFIHKAMN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-14(2)21-20(24)17-10-5-6-11-18(17)22-19(23)13-26-16-9-7-8-15(12-16)25-3/h5-12,14H,4,13H2,1-3H3,(H,21,24)(H,22,23)/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide?
N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide has a molecular weight of 356.42 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 94592415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).