N-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide

C24H23N3O3 — CID 97247705

IUPACN-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
SMILESCc1cnc2c(c1)N(C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)CCO2
InChIInChI=1S/C24H23N3O3/c1-17-14-21-24(25-16-17)30-13-12-27(21)22(28)15-20(18-8-4-2-5-9-18)26-23(29)19-10-6-3-7-11-19/h2-11,14,16,20H,12-13,15H2,1H3,(H,26,29)/t20-/m0/s1
InChIKeyQSVIXDWLKHCGMJ-FQEVSTJZSA-N
MW401.47 g/mol
LogP3.68
Rot. Bonds5

About N-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide

N-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 97247705) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
PubChem CID97247705
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
SMILESCc1cnc2c(c1)N(C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)CCO2
InChIInChI=1S/C24H23N3O3/c1-17-14-21-24(25-16-17)30-13-12-27(21)22(28)15-20(18-8-4-2-5-9-18)26-23(29)19-10-6-3-7-11-19/h2-11,14,16,20H,12-13,15H2,1H3,(H,26,29)/t20-/m0/s1
InChIKeyQSVIXDWLKHCGMJ-FQEVSTJZSA-N
XLogP3.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 166206936
N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 51293034
N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 78774048
1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 126783528
N-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 55872402
4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239627
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide
CID 119401596
(2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate
CID 7221898
S-ethyl 3-benzamido-3-phenylpropanethioate
CID 11758800
N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
CID 26009471

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide (CID 97247705) is N-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide is Cc1cnc2c(c1)N(C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)CCO2.
What is the InChIKey of N-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is QSVIXDWLKHCGMJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-17-14-21-24(25-16-17)30-13-12-27(21)22(28)15-20(18-8-4-2-5-9-18)26-23(29)19-10-6-3-7-11-19/h2-11,14,16,20H,12-13,15H2,1H3,(H,26,29)/t20-/m0/s1.
What are the key properties of N-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide?
N-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 97247705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).