(2R)-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-methylbutanamide

C23H24N2O3 — CID 92767940

IUPAC(2R)-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)Nc1ccc(-c2onc3c2CCc2cc(OC)ccc2-3)cc1
InChIInChI=1S/C23H24N2O3/c1-4-14(2)23(26)24-17-8-5-15(6-9-17)22-20-11-7-16-13-18(27-3)10-12-19(16)21(20)25-28-22/h5-6,8-10,12-14H,4,7,11H2,1-3H3,(H,24,26)/t14-/m1/s1
InChIKeyIGBSNUQNWCKWTJ-CQSZACIVSA-N
MW376.46 g/mol
LogP5.10
Rot. Bonds5

About (2R)-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-methylbutanamide

(2R)-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-methylbutanamide (PubChem CID 92767940) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (2R)-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-methylbutanamide
PubChem CID92767940
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(2R)-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)Nc1ccc(-c2onc3c2CCc2cc(OC)ccc2-3)cc1
InChIInChI=1S/C23H24N2O3/c1-4-14(2)23(26)24-17-8-5-15(6-9-17)22-20-11-7-16-13-18(27-3)10-12-19(16)21(20)25-28-22/h5-6,8-10,12-14H,4,7,11H2,1-3H3,(H,24,26)/t14-/m1/s1
InChIKeyIGBSNUQNWCKWTJ-CQSZACIVSA-N
XLogP5.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-methylbutanamide (CID 92767940) is (2R)-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-methylbutanamide is CC[C@@H](C)C(=O)Nc1ccc(-c2onc3c2CCc2cc(OC)ccc2-3)cc1.
What is the InChIKey of (2R)-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-methylbutanamide?
The InChIKey is IGBSNUQNWCKWTJ-CQSZACIVSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-4-14(2)23(26)24-17-8-5-15(6-9-17)22-20-11-7-16-13-18(27-3)10-12-19(16)21(20)25-28-22/h5-6,8-10,12-14H,4,7,11H2,1-3H3,(H,24,26)/t14-/m1/s1.
What are the key properties of (2R)-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-methylbutanamide?
(2R)-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-methylbutanamide has a molecular weight of 376.46 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]-2-methylbutanamide is sourced from PubChem (CID 92767940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).