3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

C15H19N3O3 — CID 60867993

IUPAC3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCC1Oc2ccc(NC(=O)CCNC3CC3)cc2NC1=O
InChIInChI=1S/C15H19N3O3/c1-9-15(20)18-12-8-11(4-5-13(12)21-9)17-14(19)6-7-16-10-2-3-10/h4-5,8-10,16H,2-3,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyOHKXRFRNMRKNKC-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.49
Rot. Bonds5

About 3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (PubChem CID 60867993) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
PubChem CID60867993
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCC1Oc2ccc(NC(=O)CCNC3CC3)cc2NC1=O
InChIInChI=1S/C15H19N3O3/c1-9-15(20)18-12-8-11(4-5-13(12)21-9)17-14(19)6-7-16-10-2-3-10/h4-5,8-10,16H,2-3,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyOHKXRFRNMRKNKC-UHFFFAOYSA-N
XLogP1.49
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 45029596
4-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119273981
3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 84938811
N-[3-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 43056263
6-(carbamoylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)hexanamide
CID 18164565
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
3-(3,4-dimethylphenyl)sulfanyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 9145471
3-(4-fluorophenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 9146076
2-(2-methoxyethylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 119694637
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(2-methylphenyl)propanamide
CID 110778176

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (CID 60867993) is 3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is CC1Oc2ccc(NC(=O)CCNC3CC3)cc2NC1=O.
What is the InChIKey of 3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is OHKXRFRNMRKNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-15(20)18-12-8-11(4-5-13(12)21-9)17-14(19)6-7-16-10-2-3-10/h4-5,8-10,16H,2-3,6-7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 289.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 60867993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).