methyl N-[dimethylamino-[methyl(propylcarbamoyl)amino]methylidene]carbamate

C10H20N4O3 — CID 54182627

IUPACmethyl N-[dimethylamino-[methyl(propylcarbamoyl)amino]methylidene]carbamate
SMILESCCCNC(=O)N(C)C(=NC(=O)OC)N(C)C
InChIInChI=1S/C10H20N4O3/c1-6-7-11-9(15)14(4)8(13(2)3)12-10(16)17-5/h6-7H2,1-5H3,(H,11,15)
InChIKeyPCWPVWBAASTWEZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.72
Rot. Bonds2

About methyl N-[dimethylamino-[methyl(propylcarbamoyl)amino]methylidene]carbamate

methyl N-[dimethylamino-[methyl(propylcarbamoyl)amino]methylidene]carbamate (PubChem CID 54182627) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl N-[dimethylamino-[methyl(propylcarbamoyl)amino]methylidene]carbamate.

Molecular Properties

Compound Namemethyl N-[dimethylamino-[methyl(propylcarbamoyl)amino]methylidene]carbamate
PubChem CID54182627
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Namemethyl N-[dimethylamino-[methyl(propylcarbamoyl)amino]methylidene]carbamate
SMILESCCCNC(=O)N(C)C(=NC(=O)OC)N(C)C
InChIInChI=1S/C10H20N4O3/c1-6-7-11-9(15)14(4)8(13(2)3)12-10(16)17-5/h6-7H2,1-5H3,(H,11,15)
InChIKeyPCWPVWBAASTWEZ-UHFFFAOYSA-N
XLogP0.72
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(N'-ethylcarbamimidoyl)-3-propylurea
CID 164628516
tert-butyl (NE)-N-[amino-(2-methylpropylcarbamoylamino)methylidene]carbamate
CID 11694555
[(Cyclohexylcarbamoylamino)-[methoxycarbonyl(methyl)amino]methylidene]-dimethylazanium
CID 21326502
methyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate
CID 21481935
[(Butylcarbamoylamino)-[methoxycarbonyl(methyl)amino]methylidene]-dimethylazanium
CID 21481937
[(Cyclopentylcarbamoylamino)-[methoxycarbonyl(methyl)amino]methylidene]-dimethylazanium
CID 21509785
[(Butan-2-ylcarbamothioylamino)-[methoxycarbonyl(methyl)amino]methylidene]-dimethylazanium
CID 21509857
methyl N-(butan-2-ylcarbamoyl)-N'-(methylcarbamoyl)carbamimidate
CID 53640612
methyl N-[dimethylamino-[2,2-dimethylpropylcarbamoyl(methyl)amino]methylidene]carbamate
CID 53770500
methyl N-[[cyclohexylcarbamoyl(methyl)amino]-(dimethylamino)methylidene]carbamate
CID 53853620
methyl N-[dimethylamino-[hexylcarbamoyl(methyl)amino]methylidene]carbamate
CID 54037724
methyl N-[dimethylamino-[methyl(pentylcarbamoyl)amino]methylidene]carbamate
CID 54060333

Frequently Asked Questions

What is the IUPAC name of methyl N-[dimethylamino-[methyl(propylcarbamoyl)amino]methylidene]carbamate?
The IUPAC name of methyl N-[dimethylamino-[methyl(propylcarbamoyl)amino]methylidene]carbamate (CID 54182627) is methyl N-[dimethylamino-[methyl(propylcarbamoyl)amino]methylidene]carbamate.
What is the SMILES notation for methyl N-[dimethylamino-[methyl(propylcarbamoyl)amino]methylidene]carbamate?
The canonical SMILES for methyl N-[dimethylamino-[methyl(propylcarbamoyl)amino]methylidene]carbamate is CCCNC(=O)N(C)C(=NC(=O)OC)N(C)C.
What is the InChIKey of methyl N-[dimethylamino-[methyl(propylcarbamoyl)amino]methylidene]carbamate?
The InChIKey is PCWPVWBAASTWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-6-7-11-9(15)14(4)8(13(2)3)12-10(16)17-5/h6-7H2,1-5H3,(H,11,15).
What are the key properties of methyl N-[dimethylamino-[methyl(propylcarbamoyl)amino]methylidene]carbamate?
methyl N-[dimethylamino-[methyl(propylcarbamoyl)amino]methylidene]carbamate has a molecular weight of 244.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[dimethylamino-[methyl(propylcarbamoyl)amino]methylidene]carbamate is sourced from PubChem (CID 54182627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).