1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea

C14H21N3O — CID 116653604

IUPAC1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea
SMILESCCN(Cc1ccccc1N)C(=O)NC1CCC1
InChIInChI=1S/C14H21N3O/c1-2-17(14(18)16-12-7-5-8-12)10-11-6-3-4-9-13(11)15/h3-4,6,9,12H,2,5,7-8,10,15H2,1H3,(H,16,18)
InChIKeyJQPFHTWQSAYNDK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.35
Rot. Bonds4

About 1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea

1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea (PubChem CID 116653604) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea.

Molecular Properties

Compound Name1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea
PubChem CID116653604
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea
SMILESCCN(Cc1ccccc1N)C(=O)NC1CCC1
InChIInChI=1S/C14H21N3O/c1-2-17(14(18)16-12-7-5-8-12)10-11-6-3-4-9-13(11)15/h3-4,6,9,12H,2,5,7-8,10,15H2,1H3,(H,16,18)
InChIKeyJQPFHTWQSAYNDK-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea
CID 110894693
1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700033
4-[[(2-bromophenyl)methyl-ethylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024060
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide
CID 43461001
N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79159196
N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide
CID 43459851
3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 38162216
2-(2-amino-N-ethylanilino)-N-cyclopentylpropanamide
CID 62102962
3-[(2-aminophenyl)methyl]-1,1-diethylurea
CID 79153335
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
CID 43459253
3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea
CID 87013249

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea?
The IUPAC name of 1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea (CID 116653604) is 1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea.
What is the SMILES notation for 1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea?
The canonical SMILES for 1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea is CCN(Cc1ccccc1N)C(=O)NC1CCC1.
What is the InChIKey of 1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea?
The InChIKey is JQPFHTWQSAYNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-17(14(18)16-12-7-5-8-12)10-11-6-3-4-9-13(11)15/h3-4,6,9,12H,2,5,7-8,10,15H2,1H3,(H,16,18).
What are the key properties of 1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea?
1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea has a molecular weight of 247.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea is sourced from PubChem (CID 116653604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).