N,N-dimethylmethanamine;3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide

C18H29N3O3 — CID 144580447

IUPACN,N-dimethylmethanamine;3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide
SMILESCC1COc2c(C(N)=O)cccc2C(=O)N(C(C)C)C1.CN(C)C
InChIInChI=1S/C15H20N2O3.C3H9N/c1-9(2)17-7-10(3)8-20-13-11(14(16)18)5-4-6-12(13)15(17)19;1-4(2)3/h4-6,9-10H,7-8H2,1-3H3,(H2,16,18);1-3H3
InChIKeyGQKOBECLEKPVEB-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.84
Rot. Bonds2

About N,N-dimethylmethanamine;3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide

N,N-dimethylmethanamine;3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide (PubChem CID 144580447) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N,N-dimethylmethanamine;3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide.

Molecular Properties

Compound NameN,N-dimethylmethanamine;3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide
PubChem CID144580447
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN,N-dimethylmethanamine;3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide
SMILESCC1COc2c(C(N)=O)cccc2C(=O)N(C(C)C)C1.CN(C)C
InChIInChI=1S/C15H20N2O3.C3H9N/c1-9(2)17-7-10(3)8-20-13-11(14(16)18)5-4-6-12(13)15(17)19;1-4(2)3/h4-6,9-10H,7-8H2,1-3H3,(H2,16,18);1-3H3
InChIKeyGQKOBECLEKPVEB-UHFFFAOYSA-N
XLogP1.84
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide?
The IUPAC name of N,N-dimethylmethanamine;3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide (CID 144580447) is N,N-dimethylmethanamine;3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide.
What is the SMILES notation for N,N-dimethylmethanamine;3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide?
The canonical SMILES for N,N-dimethylmethanamine;3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide is CC1COc2c(C(N)=O)cccc2C(=O)N(C(C)C)C1.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide?
The InChIKey is GQKOBECLEKPVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.C3H9N/c1-9(2)17-7-10(3)8-20-13-11(14(16)18)5-4-6-12(13)15(17)19;1-4(2)3/h4-6,9-10H,7-8H2,1-3H3,(H2,16,18);1-3H3.
What are the key properties of N,N-dimethylmethanamine;3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide?
N,N-dimethylmethanamine;3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocine-10-carboxamide is sourced from PubChem (CID 144580447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).