N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide

C20H26N4O3 — CID 97004073

IUPACN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide
SMILESCc1cc(C)n(C[C@@H](C)NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)n1
InChIInChI=1S/C20H26N4O3/c1-13-11-15(3)24(22-13)12-14(2)21-19(25)9-10-23-17-7-5-6-8-18(17)27-16(4)20(23)26/h5-8,11,14,16H,9-10,12H2,1-4H3,(H,21,25)/t14-,16-/m1/s1
InChIKeyUNYCXXXSLPQXQW-GDBMZVCRSA-N
MW370.45 g/mol
LogP2.21
Rot. Bonds6

About N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide

N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide (PubChem CID 97004073) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide
PubChem CID97004073
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide
SMILESCc1cc(C)n(C[C@@H](C)NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)n1
InChIInChI=1S/C20H26N4O3/c1-13-11-15(3)24(22-13)12-14(2)21-19(25)9-10-23-17-7-5-6-8-18(17)27-16(4)20(23)26/h5-8,11,14,16H,9-10,12H2,1-4H3,(H,21,25)/t14-,16-/m1/s1
InChIKeyUNYCXXXSLPQXQW-GDBMZVCRSA-N
XLogP2.21
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

N-(1-methoxypropan-2-yl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
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(2R)-3-methyl-2-[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]butanoic acid
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(2R)-3-methyl-2-[3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]butanoic acid
CID 92944204
N-[2-(methylamino)propyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 120830439
N-[4-(4-bromophenyl)butan-2-yl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
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3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methyl-1-phenylpropyl)propanamide
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N-(2-hydroxypropyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 78828367
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 51265270
N-[(2S)-butan-2-yl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28522105
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide?
The IUPAC name of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide (CID 97004073) is N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide.
What is the SMILES notation for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide?
The canonical SMILES for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide is Cc1cc(C)n(C[C@@H](C)NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)n1.
What is the InChIKey of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide?
The InChIKey is UNYCXXXSLPQXQW-GDBMZVCRSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-11-15(3)24(22-13)12-14(2)21-19(25)9-10-23-17-7-5-6-8-18(17)27-16(4)20(23)26/h5-8,11,14,16H,9-10,12H2,1-4H3,(H,21,25)/t14-,16-/m1/s1.
What are the key properties of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide?
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide has a molecular weight of 370.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide is sourced from PubChem (CID 97004073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).