3-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide

C20H32N4O3 — CID 56740978

IUPAC3-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCCN(CCN(C)C)C(=O)CC1COc2ccc(C(=O)N(C)C)cc2N1C
InChIInChI=1S/C20H32N4O3/c1-7-24(11-10-21(2)3)19(25)13-16-14-27-18-9-8-15(20(26)22(4)5)12-17(18)23(16)6/h8-9,12,16H,7,10-11,13-14H2,1-6H3
InChIKeyCEPPFZNLGJJKFB-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.39
Rot. Bonds7

About 3-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide

3-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide (PubChem CID 56740978) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name3-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
PubChem CID56740978
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name3-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCCN(CCN(C)C)C(=O)CC1COc2ccc(C(=O)N(C)C)cc2N1C
InChIInChI=1S/C20H32N4O3/c1-7-24(11-10-21(2)3)19(25)13-16-14-27-18-9-8-15(20(26)22(4)5)12-17(18)23(16)6/h8-9,12,16H,7,10-11,13-14H2,1-6H3
InChIKeyCEPPFZNLGJJKFB-UHFFFAOYSA-N
XLogP1.39
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 3-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide (CID 56740978) is 3-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 3-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 3-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide is CCN(CCN(C)C)C(=O)CC1COc2ccc(C(=O)N(C)C)cc2N1C.
What is the InChIKey of 3-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The InChIKey is CEPPFZNLGJJKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-7-24(11-10-21(2)3)19(25)13-16-14-27-18-9-8-15(20(26)22(4)5)12-17(18)23(16)6/h8-9,12,16H,7,10-11,13-14H2,1-6H3.
What are the key properties of 3-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
3-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 1.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]-N,N,4-trimethyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 56740978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).