N-[(2R)-1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide

C20H29N3O3 — CID 95352241

IUPACN-[(2R)-1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCCN1C[C@H](CN(C)C(=O)[C@@H](C)NC(=O)C2CCC2)Oc2ccccc21
InChIInChI=1S/C20H29N3O3/c1-4-23-13-16(26-18-11-6-5-10-17(18)23)12-22(3)20(25)14(2)21-19(24)15-8-7-9-15/h5-6,10-11,14-16H,4,7-9,12-13H2,1-3H3,(H,21,24)/t14-,16+/m1/s1
InChIKeyVGBOLMPHTSGKIB-ZBFHGGJFSA-N
MW359.47 g/mol
LogP2.04
Rot. Bonds6

About N-[(2R)-1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide

N-[(2R)-1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide (PubChem CID 95352241) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(2R)-1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
PubChem CID95352241
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[(2R)-1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCCN1C[C@H](CN(C)C(=O)[C@@H](C)NC(=O)C2CCC2)Oc2ccccc21
InChIInChI=1S/C20H29N3O3/c1-4-23-13-16(26-18-11-6-5-10-17(18)23)12-22(3)20(25)14(2)21-19(24)15-8-7-9-15/h5-6,10-11,14-16H,4,7-9,12-13H2,1-3H3,(H,21,24)/t14-,16+/m1/s1
InChIKeyVGBOLMPHTSGKIB-ZBFHGGJFSA-N
XLogP2.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide with MolForge

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Related Compounds

Samelisant
CID 60151477
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 26120
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N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-propionamide
CID 9863108
2-(2-Ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
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CID 684240
N-(2-Ethoxy-phenyl)-2-(3-oxo-1,2,3,4-tetrahydro-quinoxalin-2-yl)-acetamide
CID 655207

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(2R)-1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide (CID 95352241) is N-[(2R)-1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2R)-1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2R)-1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide is CCN1C[C@H](CN(C)C(=O)[C@@H](C)NC(=O)C2CCC2)Oc2ccccc21.
What is the InChIKey of N-[(2R)-1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The InChIKey is VGBOLMPHTSGKIB-ZBFHGGJFSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-23-13-16(26-18-11-6-5-10-17(18)23)12-22(3)20(25)14(2)21-19(24)15-8-7-9-15/h5-6,10-11,14-16H,4,7-9,12-13H2,1-3H3,(H,21,24)/t14-,16+/m1/s1.
What are the key properties of N-[(2R)-1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
N-[(2R)-1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 95352241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).