1-methyl-1-(N-methylanilino)urea

C9H13N3O — CID 154254582

IUPAC1-methyl-1-(N-methylanilino)urea
SMILESCN(C(N)=O)N(C)c1ccccc1
InChIInChI=1S/C9H13N3O/c1-11(12(2)9(10)13)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,10,13)
InChIKeyIAKRIFZLQFUVLT-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.05
Rot. Bonds2

About 1-methyl-1-(N-methylanilino)urea

1-methyl-1-(N-methylanilino)urea (PubChem CID 154254582) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-methyl-1-(N-methylanilino)urea.

Molecular Properties

Compound Name1-methyl-1-(N-methylanilino)urea
PubChem CID154254582
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-methyl-1-(N-methylanilino)urea
SMILESCN(C(N)=O)N(C)c1ccccc1
InChIInChI=1S/C9H13N3O/c1-11(12(2)9(10)13)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,10,13)
InChIKeyIAKRIFZLQFUVLT-UHFFFAOYSA-N
XLogP1.05
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-diphenylurea
CID 174849888
N'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride
CID 68696600
2-[1-[methyl-(N-methylanilino)amino]ethylidene]propanedial
CID 143930554
1-methylsulfonyl-1-phenylurea
CID 67458693
butane;1,1-diphenylurea
CID 70397101
(N-methylanilino) carbamate
CID 175107700
1-tert-butyl-1-phenylurea
CID 19102233
1-methoxy-1-phenylurea
CID 15620442
1-(N-carbamoylanilino)-1-methyl-3-phenylurea
CID 57010745
benzoic acid;N-methyl-N-phenylaniline
CID 158055475
1-methyl-1-phenyl-2,2-disilylhydrazine
CID 123916482
(2S)-2-(N-carbamoylanilino)propanoic acid
CID 54468578

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(N-methylanilino)urea?
The IUPAC name of 1-methyl-1-(N-methylanilino)urea (CID 154254582) is 1-methyl-1-(N-methylanilino)urea.
What is the SMILES notation for 1-methyl-1-(N-methylanilino)urea?
The canonical SMILES for 1-methyl-1-(N-methylanilino)urea is CN(C(N)=O)N(C)c1ccccc1.
What is the InChIKey of 1-methyl-1-(N-methylanilino)urea?
The InChIKey is IAKRIFZLQFUVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-11(12(2)9(10)13)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,10,13).
What are the key properties of 1-methyl-1-(N-methylanilino)urea?
1-methyl-1-(N-methylanilino)urea has a molecular weight of 179.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(N-methylanilino)urea is sourced from PubChem (CID 154254582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).