methyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate

C30H35N3O5 — CID 66600707

IUPACmethyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate
SMILESCOC(=O)N(C)C(C)CC1(c2ccccc2)CCN([C@@H](C)c2ccc(-c3ccc(=O)n(C)c3)cc2)C(=O)O1
InChIInChI=1S/C30H35N3O5/c1-21(32(4)28(35)37-5)19-30(26-9-7-6-8-10-26)17-18-33(29(36)38-30)22(2)23-11-13-24(14-12-23)25-15-16-27(34)31(3)20-25/h6-16,20-22H,17-19H2,1-5H3/t21?,22-,30?/m0/s1
InChIKeyDQQJZHUAVUMRCV-YLVHXASLSA-N
MW517.63 g/mol
LogP5.33
Rot. Bonds7

About methyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate

methyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate (PubChem CID 66600707) has the molecular formula C30H35N3O5 and a molecular weight of 517.63 g/mol. Its IUPAC name is methyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate
PubChem CID66600707
Molecular FormulaC30H35N3O5
Molecular Weight517.63 g/mol
Exact Mass517.26
IUPAC Namemethyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate
SMILESCOC(=O)N(C)C(C)CC1(c2ccccc2)CCN([C@@H](C)c2ccc(-c3ccc(=O)n(C)c3)cc2)C(=O)O1
InChIInChI=1S/C30H35N3O5/c1-21(32(4)28(35)37-5)19-30(26-9-7-6-8-10-26)17-18-33(29(36)38-30)22(2)23-11-13-24(14-12-23)25-15-16-27(34)31(3)20-25/h6-16,20-22H,17-19H2,1-5H3/t21?,22-,30?/m0/s1
InChIKeyDQQJZHUAVUMRCV-YLVHXASLSA-N
XLogP5.33
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.63
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate?
The IUPAC name of methyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate (CID 66600707) is methyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate?
The canonical SMILES for methyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate is COC(=O)N(C)C(C)CC1(c2ccccc2)CCN([C@@H](C)c2ccc(-c3ccc(=O)n(C)c3)cc2)C(=O)O1.
What is the InChIKey of methyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate?
The InChIKey is DQQJZHUAVUMRCV-YLVHXASLSA-N. The full InChI is InChI=1S/C30H35N3O5/c1-21(32(4)28(35)37-5)19-30(26-9-7-6-8-10-26)17-18-33(29(36)38-30)22(2)23-11-13-24(14-12-23)25-15-16-27(34)31(3)20-25/h6-16,20-22H,17-19H2,1-5H3/t21?,22-,30?/m0/s1.
What are the key properties of methyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate?
methyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate has a molecular weight of 517.63 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[1-[3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate is sourced from PubChem (CID 66600707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).