methyl N-ethyl-N-[4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate

C17H24N4O3 — CID 145495483

IUPACmethyl N-ethyl-N-[4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
SMILESCCN(C(=O)OC)c1ccc2c(c1)N(CC1=CNCN1C)CCO2
InChIInChI=1S/C17H24N4O3/c1-4-21(17(22)23-3)13-5-6-16-15(9-13)20(7-8-24-16)11-14-10-18-12-19(14)2/h5-6,9-10,18H,4,7-8,11-12H2,1-3H3
InChIKeyINQKWBYYAVVZFA-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.81
Rot. Bonds4

About methyl N-ethyl-N-[4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate

methyl N-ethyl-N-[4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate (PubChem CID 145495483) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl N-ethyl-N-[4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate.

Molecular Properties

Compound Namemethyl N-ethyl-N-[4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
PubChem CID145495483
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Namemethyl N-ethyl-N-[4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
SMILESCCN(C(=O)OC)c1ccc2c(c1)N(CC1=CNCN1C)CCO2
InChIInChI=1S/C17H24N4O3/c1-4-21(17(22)23-3)13-5-6-16-15(9-13)20(7-8-24-16)11-14-10-18-12-19(14)2/h5-6,9-10,18H,4,7-8,11-12H2,1-3H3
InChIKeyINQKWBYYAVVZFA-UHFFFAOYSA-N
XLogP1.81
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
CID 10478367
6-amino-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
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N-[2-(2,6-dimethyl-1-piperidinyl)ethyl]-N'-(4-ethoxyphenyl)urea
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N-(2-Methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
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CID 16189763
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4-(2-fluorophenyl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of methyl N-ethyl-N-[4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?
The IUPAC name of methyl N-ethyl-N-[4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate (CID 145495483) is methyl N-ethyl-N-[4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate.
What is the SMILES notation for methyl N-ethyl-N-[4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?
The canonical SMILES for methyl N-ethyl-N-[4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate is CCN(C(=O)OC)c1ccc2c(c1)N(CC1=CNCN1C)CCO2.
What is the InChIKey of methyl N-ethyl-N-[4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?
The InChIKey is INQKWBYYAVVZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-21(17(22)23-3)13-5-6-16-15(9-13)20(7-8-24-16)11-14-10-18-12-19(14)2/h5-6,9-10,18H,4,7-8,11-12H2,1-3H3.
What are the key properties of methyl N-ethyl-N-[4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?
methyl N-ethyl-N-[4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate has a molecular weight of 332.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethyl-N-[4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate is sourced from PubChem (CID 145495483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).