N,N-diethyl-4-[2-(ethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide

C17H23N3O4 — CID 53012395

IUPACN,N-diethyl-4-[2-(ethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCCNC(=O)CN1C(=O)COc2ccc(C(=O)N(CC)CC)cc21
InChIInChI=1S/C17H23N3O4/c1-4-18-15(21)10-20-13-9-12(17(23)19(5-2)6-3)7-8-14(13)24-11-16(20)22/h7-9H,4-6,10-11H2,1-3H3,(H,18,21)
InChIKeyMTPAKNFLKVTFQU-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.03
Rot. Bonds6

About N,N-diethyl-4-[2-(ethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide

N,N-diethyl-4-[2-(ethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 53012395) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(ethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(ethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID53012395
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN,N-diethyl-4-[2-(ethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCCNC(=O)CN1C(=O)COc2ccc(C(=O)N(CC)CC)cc21
InChIInChI=1S/C17H23N3O4/c1-4-18-15(21)10-20-13-9-12(17(23)19(5-2)6-3)7-8-14(13)24-11-16(20)22/h7-9H,4-6,10-11H2,1-3H3,(H,18,21)
InChIKeyMTPAKNFLKVTFQU-UHFFFAOYSA-N
XLogP1.03
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(ethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N,N-diethyl-4-[2-(ethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide (CID 53012395) is N,N-diethyl-4-[2-(ethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[2-(ethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N,N-diethyl-4-[2-(ethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide is CCNC(=O)CN1C(=O)COc2ccc(C(=O)N(CC)CC)cc21.
What is the InChIKey of N,N-diethyl-4-[2-(ethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is MTPAKNFLKVTFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-4-18-15(21)10-20-13-9-12(17(23)19(5-2)6-3)7-8-14(13)24-11-16(20)22/h7-9H,4-6,10-11H2,1-3H3,(H,18,21).
What are the key properties of N,N-diethyl-4-[2-(ethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
N,N-diethyl-4-[2-(ethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(ethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 53012395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).