(2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide

C24H20N2O3 — CID 7374034

IUPAC(2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1ccccc1
InChIInChI=1S/C24H20N2O3/c1-2-19(16-8-4-3-5-9-16)22(27)25-18-14-12-17(13-15-18)23-26-21-11-7-6-10-20(21)24(28)29-23/h3-15,19H,2H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyBSCVHDBTOCSQHL-IBGZPJMESA-N
MW384.44 g/mol
LogP4.99
Rot. Bonds5

About (2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide

(2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide (PubChem CID 7374034) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is (2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide
PubChem CID7374034
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name(2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1ccccc1
InChIInChI=1S/C24H20N2O3/c1-2-19(16-8-4-3-5-9-16)22(27)25-18-14-12-17(13-15-18)23-26-21-11-7-6-10-20(21)24(28)29-23/h3-15,19H,2H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyBSCVHDBTOCSQHL-IBGZPJMESA-N
XLogP4.99
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide
CID 17359918
(2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide
CID 136847891
2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359810
(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide
CID 2203697
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide
CID 2966077
2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide
CID 17359912
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
CID 977986
N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
CID 28866087
CID 68568728
CID 68568728
2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359817

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide (CID 7374034) is (2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide is CC[C@H](C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1ccccc1.
What is the InChIKey of (2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide?
The InChIKey is BSCVHDBTOCSQHL-IBGZPJMESA-N. The full InChI is InChI=1S/C24H20N2O3/c1-2-19(16-8-4-3-5-9-16)22(27)25-18-14-12-17(13-15-18)23-26-21-11-7-6-10-20(21)24(28)29-23/h3-15,19H,2H2,1H3,(H,25,27)/t19-/m0/s1.
What are the key properties of (2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide?
(2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide has a molecular weight of 384.44 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide is sourced from PubChem (CID 7374034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).