propan-2-yl N-[(4S,9S)-1-oxo-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-9-yl]carbamate

C18H24N2O4 — CID 70023633

IUPACpropan-2-yl N-[(4S,9S)-1-oxo-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-9-yl]carbamate
SMILESCC(C)OC(=O)N[C@H]1CCCN2C1C(=O)OC[C@@H]2c1ccccc1
InChIInChI=1S/C18H24N2O4/c1-12(2)24-18(22)19-14-9-6-10-20-15(11-23-17(21)16(14)20)13-7-4-3-5-8-13/h3-5,7-8,12,14-16H,6,9-11H2,1-2H3,(H,19,22)/t14-,15+,16?/m0/s1
InChIKeyIRVXNOFUKQMYOX-QMRHZFGWSA-N
MW332.40 g/mol
LogP2.25
Rot. Bonds3

About propan-2-yl N-[(4S,9S)-1-oxo-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-9-yl]carbamate

propan-2-yl N-[(4S,9S)-1-oxo-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-9-yl]carbamate (PubChem CID 70023633) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is propan-2-yl N-[(4S,9S)-1-oxo-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-9-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(4S,9S)-1-oxo-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-9-yl]carbamate
PubChem CID70023633
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Namepropan-2-yl N-[(4S,9S)-1-oxo-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-9-yl]carbamate
SMILESCC(C)OC(=O)N[C@H]1CCCN2C1C(=O)OC[C@@H]2c1ccccc1
InChIInChI=1S/C18H24N2O4/c1-12(2)24-18(22)19-14-9-6-10-20-15(11-23-17(21)16(14)20)13-7-4-3-5-8-13/h3-5,7-8,12,14-16H,6,9-11H2,1-2H3,(H,19,22)/t14-,15+,16?/m0/s1
InChIKeyIRVXNOFUKQMYOX-QMRHZFGWSA-N
XLogP2.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl N-[(4S,9S)-1-oxo-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-9-yl]carbamate with MolForge

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Related Compounds

methyl (4R,9aS)-1,6-dioxo-4-phenyl-3,4,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-9-carboxylate
CID 68650745
methyl (4R)-1,6-dioxo-4-phenyl-3,4,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-9-carboxylate
CID 68650748
propan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate
CID 124505489
propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate
CID 94044030
propan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate
CID 130290259
(4S,6S,8aS)-4-phenyl-6-propan-2-yl-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one
CID 25179616
(3R,7aS)-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
CID 25229090
4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide
CID 139263935
(8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4-carboxamide
CID 101178735
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(4S,6S,8S,8aS)-4-phenyl-6-propan-2-yl-8-(trimethylsilylmethyl)-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one
CID 11772351
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(4S,9S)-1-oxo-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-9-yl]carbamate?
The IUPAC name of propan-2-yl N-[(4S,9S)-1-oxo-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-9-yl]carbamate (CID 70023633) is propan-2-yl N-[(4S,9S)-1-oxo-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-9-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(4S,9S)-1-oxo-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-9-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(4S,9S)-1-oxo-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-9-yl]carbamate is CC(C)OC(=O)N[C@H]1CCCN2C1C(=O)OC[C@@H]2c1ccccc1.
What is the InChIKey of propan-2-yl N-[(4S,9S)-1-oxo-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-9-yl]carbamate?
The InChIKey is IRVXNOFUKQMYOX-QMRHZFGWSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(2)24-18(22)19-14-9-6-10-20-15(11-23-17(21)16(14)20)13-7-4-3-5-8-13/h3-5,7-8,12,14-16H,6,9-11H2,1-2H3,(H,19,22)/t14-,15+,16?/m0/s1.
What are the key properties of propan-2-yl N-[(4S,9S)-1-oxo-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-9-yl]carbamate?
propan-2-yl N-[(4S,9S)-1-oxo-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-9-yl]carbamate has a molecular weight of 332.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(4S,9S)-1-oxo-4-phenyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-9-yl]carbamate is sourced from PubChem (CID 70023633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).