[(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate

C10H20N4O3 — CID 7639690

IUPAC[(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate
SMILESCCNC(=O)O/N=C(\C)C(C)(C)NC(=O)NC
InChIInChI=1S/C10H20N4O3/c1-6-12-9(16)17-14-7(2)10(3,4)13-8(15)11-5/h6H2,1-5H3,(H,12,16)(H2,11,13,15)/b14-7+
InChIKeyQIOZJAGMFZUYOD-VGOFMYFVSA-N
MW244.29 g/mol
LogP0.82
Rot. Bonds4

About [(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate

[(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate (PubChem CID 7639690) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is [(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate.

Molecular Properties

Compound Name[(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate
PubChem CID7639690
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name[(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate
SMILESCCNC(=O)O/N=C(\C)C(C)(C)NC(=O)NC
InChIInChI=1S/C10H20N4O3/c1-6-12-9(16)17-14-7(2)10(3,4)13-8(15)11-5/h6H2,1-5H3,(H,12,16)(H2,11,13,15)/b14-7+
InChIKeyQIOZJAGMFZUYOD-VGOFMYFVSA-N
XLogP0.82
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate with MolForge

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Related Compounds

[[3-[(4-chlorophenyl)carbamoylamino]-3-methylbutan-2-ylidene]amino] N-methylcarbamate
CID 4888711
1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea
CID 101061255
[(E)-1-phenylethylideneamino] N-ethylcarbamate
CID 121217910
[(1,1-difluoro-3,3-dimethyl-1-sulfanylpentan-2-ylidene)amino] N-methylcarbamate
CID 173452366
[(3-methyl-3-nitrobutan-2-ylidene)amino] N-methylcarbamate
CID 30150
1,3-dimethylurea;methylamino N-ethylcarbamate;N-methylpropanamide;propan-2-one
CID 90924922
(butan-2-ylideneamino) N-[6-[[(E)-butan-2-ylideneamino]oxycarbonylamino]hexyl]carbamate
CID 153406535
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
ethyl N-(methylcarbamoyloxy)ethanimidothioate
CID 29861
1-(3-formylpentan-3-yl)-3-methylurea
CID 170608982
1-(1-methoxy-2-methylpropan-2-yl)-3-methylurea
CID 115690659
[(1-tert-butylsulfanyl-3,3-dimethylbutan-2-ylidene)amino] N-methylcarbamate
CID 88794425

Frequently Asked Questions

What is the IUPAC name of [(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate?
The IUPAC name of [(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate (CID 7639690) is [(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate.
What is the SMILES notation for [(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate?
The canonical SMILES for [(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate is CCNC(=O)O/N=C(\C)C(C)(C)NC(=O)NC.
What is the InChIKey of [(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate?
The InChIKey is QIOZJAGMFZUYOD-VGOFMYFVSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-6-12-9(16)17-14-7(2)10(3,4)13-8(15)11-5/h6H2,1-5H3,(H,12,16)(H2,11,13,15)/b14-7+.
What are the key properties of [(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate?
[(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate has a molecular weight of 244.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate is sourced from PubChem (CID 7639690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).