N-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide

C20H20N2O3 — CID 95320807

IUPACN-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide
SMILESC[C@@H]1CN(C(=O)c2ccc(NC(=O)C3CC3)cc2)c2ccccc2O1
InChIInChI=1S/C20H20N2O3/c1-13-12-22(17-4-2-3-5-18(17)25-13)20(24)15-8-10-16(11-9-15)21-19(23)14-6-7-14/h2-5,8-11,13-14H,6-7,12H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyOVRAVIFCJZBPRK-CYBMUJFWSA-N
MW336.39 g/mol
LogP3.46
Rot. Bonds3

About N-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide

N-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide (PubChem CID 95320807) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide
PubChem CID95320807
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide
SMILESC[C@@H]1CN(C(=O)c2ccc(NC(=O)C3CC3)cc2)c2ccccc2O1
InChIInChI=1S/C20H20N2O3/c1-13-12-22(17-4-2-3-5-18(17)25-13)20(24)15-8-10-16(11-9-15)21-19(23)14-6-7-14/h2-5,8-11,13-14H,6-7,12H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyOVRAVIFCJZBPRK-CYBMUJFWSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]cyclopropanecarboxamide
CID 31921302
(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-prop-2-enoxyphenyl)methanone
CID 51065339
(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 71984270
(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
CID 82274959
4-acetyl-N-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 45281354
N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
CID 138997436
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-phenylmethanone
CID 71327059
2-chloro-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 14880552
(2R)-4-(4-tert-butylbenzoyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945213
[1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 22521172
N-[4-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-4-nitrobenzamide
CID 51065931

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide (CID 95320807) is N-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide is C[C@@H]1CN(C(=O)c2ccc(NC(=O)C3CC3)cc2)c2ccccc2O1.
What is the InChIKey of N-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide?
The InChIKey is OVRAVIFCJZBPRK-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-12-22(17-4-2-3-5-18(17)25-13)20(24)15-8-10-16(11-9-15)21-19(23)14-6-7-14/h2-5,8-11,13-14H,6-7,12H2,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of N-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide?
N-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 95320807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).