(2R)-4-[2-[ethyl(furan-2-ylmethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C18H21N3O4 — CID 37464777

IUPAC(2R)-4-[2-[ethyl(furan-2-ylmethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCCN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccco1
InChIInChI=1S/C18H21N3O4/c1-2-20(10-13-6-5-9-24-13)12-17(22)21-11-16(18(19)23)25-15-8-4-3-7-14(15)21/h3-9,16H,2,10-12H2,1H3,(H2,19,23)/t16-/m1/s1
InChIKeyOOLUQWIXJBXZMG-MRXNPFEDSA-N
MW343.38 g/mol
LogP1.38
Rot. Bonds6

About (2R)-4-[2-[ethyl(furan-2-ylmethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2R)-4-[2-[ethyl(furan-2-ylmethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 37464777) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2R)-4-[2-[ethyl(furan-2-ylmethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[2-[ethyl(furan-2-ylmethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID37464777
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(2R)-4-[2-[ethyl(furan-2-ylmethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCCN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccco1
InChIInChI=1S/C18H21N3O4/c1-2-20(10-13-6-5-9-24-13)12-17(22)21-11-16(18(19)23)25-15-8-4-3-7-14(15)21/h3-9,16H,2,10-12H2,1H3,(H2,19,23)/t16-/m1/s1
InChIKeyOOLUQWIXJBXZMG-MRXNPFEDSA-N
XLogP1.38
TPSA89.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-[ethyl(furan-2-ylmethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of (2R)-4-[2-[ethyl(furan-2-ylmethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 37464777) is (2R)-4-[2-[ethyl(furan-2-ylmethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for (2R)-4-[2-[ethyl(furan-2-ylmethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for (2R)-4-[2-[ethyl(furan-2-ylmethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CCN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccco1.
What is the InChIKey of (2R)-4-[2-[ethyl(furan-2-ylmethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is OOLUQWIXJBXZMG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-2-20(10-13-6-5-9-24-13)12-17(22)21-11-16(18(19)23)25-15-8-4-3-7-14(15)21/h3-9,16H,2,10-12H2,1H3,(H2,19,23)/t16-/m1/s1.
What are the key properties of (2R)-4-[2-[ethyl(furan-2-ylmethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
(2R)-4-[2-[ethyl(furan-2-ylmethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-[ethyl(furan-2-ylmethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 37464777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).