N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C21H20N2O3 — CID 94812762

IUPACN-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)N(C3CC3)[C@H]3CCc4ccccc43)cc2N1
InChIInChI=1S/C21H20N2O3/c24-20-12-26-19-10-6-14(11-17(19)22-20)21(25)23(15-7-8-15)18-9-5-13-3-1-2-4-16(13)18/h1-4,6,10-11,15,18H,5,7-9,12H2,(H,22,24)/t18-/m0/s1
InChIKeyWXXAQNTXEBZYLV-SFHVURJKSA-N
MW348.40 g/mol
LogP3.31
Rot. Bonds3

About N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 94812762) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID94812762
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)N(C3CC3)[C@H]3CCc4ccccc43)cc2N1
InChIInChI=1S/C21H20N2O3/c24-20-12-26-19-10-6-14(11-17(19)22-20)21(25)23(15-7-8-15)18-9-5-13-3-1-2-4-16(13)18/h1-4,6,10-11,15,18H,5,7-9,12H2,(H,22,24)/t18-/m0/s1
InChIKeyWXXAQNTXEBZYLV-SFHVURJKSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide with MolForge

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Related Compounds

3-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzamide;hydrochloride
CID 119742632
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71936957
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide
CID 56822012
N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 51101453
6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one
CID 11494132
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 55864478
6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one
CID 68979581
6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43120478
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide
CID 78843937
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763777
6-(oxane-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 55132753

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 94812762) is N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is O=C1COc2ccc(C(=O)N(C3CC3)[C@H]3CCc4ccccc43)cc2N1.
What is the InChIKey of N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is WXXAQNTXEBZYLV-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-20-12-26-19-10-6-14(11-17(19)22-20)21(25)23(15-7-8-15)18-9-5-13-3-1-2-4-16(13)18/h1-4,6,10-11,15,18H,5,7-9,12H2,(H,22,24)/t18-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 94812762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).