argon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea

C20H38ArN4O2 — CID 159405700

IUPACargon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea
SMILESCC.CC.CC.CCN1C(=O)C(NC(=O)NC)CN(C)c2ccccc21.[Ar]
InChIInChI=1S/C14H20N4O2.3C2H6.Ar/c1-4-18-12-8-6-5-7-11(12)17(3)9-10(13(18)19)16-14(20)15-2;3*1-2;/h5-8,10H,4,9H2,1-3H3,(H2,15,16,20);3*1-2H3;
InChIKeyLNXPMHUOZOGGSB-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.87
Rot. Bonds2

About argon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea

argon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea (PubChem CID 159405700) has the molecular formula C20H38ArN4O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is argon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea.

Molecular Properties

Compound Nameargon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea
PubChem CID159405700
Molecular FormulaC20H38ArN4O2
Molecular Weight406.50 g/mol
Exact Mass406.26
IUPAC Nameargon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea
SMILESCC.CC.CC.CCN1C(=O)C(NC(=O)NC)CN(C)c2ccccc21.[Ar]
InChIInChI=1S/C14H20N4O2.3C2H6.Ar/c1-4-18-12-8-6-5-7-11(12)17(3)9-10(13(18)19)16-14(20)15-2;3*1-2;/h5-8,10H,4,9H2,1-3H3,(H2,15,16,20);3*1-2H3;
InChIKeyLNXPMHUOZOGGSB-UHFFFAOYSA-N
XLogP3.87
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze argon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-hydroxypropanamide
CID 21076597
(2S)-2-(methylamino)-N-[(3S)-1-methyl-5-(naphthalen-1-ylmethyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]propanamide
CID 72714293
2-(methylamino)-N-[1-methyl-5-(naphthalen-1-ylmethyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]propanamide
CID 122531579
tert-butyl N-[1-methyl-5-(naphthalen-1-ylmethyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate
CID 122531386
tert-butyl N-[1-methyl-5-[2-(N-methylanilino)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate
CID 21201913
2-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-N-(methylcarbamoyl)acetamide
CID 71999771
(3S)-3-[[2-[(3S)-1-methyl-3-(methylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid
CID 59947604
carbanide;1-(1,5-dimethyl-2,4-dioxo-1,5-benzodiazepin-3-yl)-3-methylurea;molecular iodine;yttrium
CID 162051104
[(2S)-1-[[(3S)-5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-1-oxopropan-2-yl] N-(2,2,2-trifluoroethyl)carbamate
CID 11270670
2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid
CID 22954619
1-ethyl-5,5-dimethyl-3-(methylamino)-3,4-dihydro-1-benzazepin-2-one
CID 23554449
N-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide
CID 41024763

Frequently Asked Questions

What is the IUPAC name of argon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea?
The IUPAC name of argon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea (CID 159405700) is argon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea.
What is the SMILES notation for argon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea?
The canonical SMILES for argon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea is CC.CC.CC.CCN1C(=O)C(NC(=O)NC)CN(C)c2ccccc21.[Ar].
What is the InChIKey of argon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea?
The InChIKey is LNXPMHUOZOGGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.3C2H6.Ar/c1-4-18-12-8-6-5-7-11(12)17(3)9-10(13(18)19)16-14(20)15-2;3*1-2;/h5-8,10H,4,9H2,1-3H3,(H2,15,16,20);3*1-2H3;.
What are the key properties of argon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea?
argon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea has a molecular weight of 406.50 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for argon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea is sourced from PubChem (CID 159405700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).