N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide

C20H24N2O4 — CID 9318169

IUPACN-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide
SMILESCC[C@@H](C)NC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C20H24N2O4/c1-4-14(2)21-19(23)13-26-16-11-9-15(10-12-16)22-20(24)17-7-5-6-8-18(17)25-3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeySXHLFEDTQAWCRA-CQSZACIVSA-N
MW356.42 g/mol
LogP3.24
Rot. Bonds8

About N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide

N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide (PubChem CID 9318169) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide
PubChem CID9318169
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide
SMILESCC[C@@H](C)NC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C20H24N2O4/c1-4-14(2)21-19(23)13-26-16-11-9-15(10-12-16)22-20(24)17-7-5-6-8-18(17)25-3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeySXHLFEDTQAWCRA-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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Related Compounds

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N-butan-2-yl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide (CID 9318169) is N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide is CC[C@@H](C)NC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1.
What is the InChIKey of N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide?
The InChIKey is SXHLFEDTQAWCRA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-14(2)21-19(23)13-26-16-11-9-15(10-12-16)22-20(24)17-7-5-6-8-18(17)25-3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)/t14-/m1/s1.
What are the key properties of N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide?
N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide 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-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 9318169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).