3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea

C14H23N3O2 — CID 55000887

IUPAC3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea
SMILESCCC(C)N(CCOC)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H23N3O2/c1-4-11(2)17(8-9-19-3)14(18)16-13-7-5-6-12(15)10-13/h5-7,10-11H,4,8-9,15H2,1-3H3,(H,16,18)
InChIKeyWLQNYQHKGMPSLW-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.55
Rot. Bonds6

About 3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea

3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea (PubChem CID 55000887) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea
PubChem CID55000887
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea
SMILESCCC(C)N(CCOC)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H23N3O2/c1-4-11(2)17(8-9-19-3)14(18)16-13-7-5-6-12(15)10-13/h5-7,10-11H,4,8-9,15H2,1-3H3,(H,16,18)
InChIKeyWLQNYQHKGMPSLW-UHFFFAOYSA-N
XLogP2.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 55001467
N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429180
N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide
CID 61450066
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea
CID 61418847
N-(3-aminophenyl)-2-ethoxypropanamide
CID 16782214
butan-2-yl N-(3-aminophenyl)carbamate
CID 60904542
2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
CID 55001222
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82947951
2-[[(2R)-butan-2-yl]-[(3-fluorophenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 7415044
3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 63701302

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea?
The IUPAC name of 3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea (CID 55000887) is 3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea is CCC(C)N(CCOC)C(=O)Nc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea?
The InChIKey is WLQNYQHKGMPSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-11(2)17(8-9-19-3)14(18)16-13-7-5-6-12(15)10-13/h5-7,10-11H,4,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea?
3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea has a molecular weight of 265.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea is sourced from PubChem (CID 55000887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).