N-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C16H22N2O3 — CID 60952807

IUPACN-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCCN(CC1CCOC1)C(=O)C1CNc2ccccc2O1
InChIInChI=1S/C16H22N2O3/c1-2-18(10-12-7-8-20-11-12)16(19)15-9-17-13-5-3-4-6-14(13)21-15/h3-6,12,15,17H,2,7-11H2,1H3
InChIKeyNWLVEOICMFVXRG-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.74
Rot. Bonds4

About N-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 60952807) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID60952807
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCCN(CC1CCOC1)C(=O)C1CNc2ccccc2O1
InChIInChI=1S/C16H22N2O3/c1-2-18(10-12-7-8-20-11-12)16(19)15-9-17-13-5-3-4-6-14(13)21-15/h3-6,12,15,17H,2,7-11H2,1H3
InChIKeyNWLVEOICMFVXRG-UHFFFAOYSA-N
XLogP1.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43401469
N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901310
N-(2-amino-2-oxoethyl)-N-butyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 60946313
N-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 61435902
2-[3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl(methyl)amino]acetic acid
CID 61158959
(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 7020375
N-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 94812644
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
N-ethyl-2-naphthalen-1-yl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 71878161
N-ethyl-2-oxo-N-[[(3S)-oxolan-3-yl]methyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95977130
trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 124744499
N-benzyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24690489

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 60952807) is N-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is CCN(CC1CCOC1)C(=O)C1CNc2ccccc2O1.
What is the InChIKey of N-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is NWLVEOICMFVXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-18(10-12-7-8-20-11-12)16(19)15-9-17-13-5-3-4-6-14(13)21-15/h3-6,12,15,17H,2,7-11H2,1H3.
What are the key properties of N-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 60952807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).