N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide

C18H21NO3 — CID 100803572

IUPACN-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)cc1
InChIInChI=1S/C18H21NO3/c1-12(2)22-17-9-7-14(8-10-17)18(21)19-16-6-4-5-15(11-16)13(3)20/h4-13,20H,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyVOXRSSKBZWJTON-ZDUSSCGKSA-N
MW299.37 g/mol
LogP3.78
Rot. Bonds5

About N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide

N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide (PubChem CID 100803572) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide
PubChem CID100803572
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)cc1
InChIInChI=1S/C18H21NO3/c1-12(2)22-17-9-7-14(8-10-17)18(21)19-16-6-4-5-15(11-16)13(3)20/h4-13,20H,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyVOXRSSKBZWJTON-ZDUSSCGKSA-N
XLogP3.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841380
4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841391
N-[3-(1-hydroxyethyl)phenyl]-4-phenylbenzamide
CID 18552677
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
N-(3-ethynylphenyl)-4-propan-2-yloxybenzamide
CID 24676247
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
4-bromo-N-(3-propan-2-yloxyphenyl)benzamide
CID 54791087
N-naphthalen-2-yl-4-propan-2-yloxybenzamide
CID 823400
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 100803554

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide (CID 100803572) is N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)cc1.
What is the InChIKey of N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide?
The InChIKey is VOXRSSKBZWJTON-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12(2)22-17-9-7-14(8-10-17)18(21)19-16-6-4-5-15(11-16)13(3)20/h4-13,20H,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide?
N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 100803572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).