1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid

C20H25N3O3 — CID 172894620

IUPAC1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid
SMILESCCNC(=O)Nc1ccc(-c2ccc(C3(N)CCC3)cc2)cc1.O=CO
InChIInChI=1S/C19H23N3O.CH2O2/c1-2-21-18(23)22-17-10-6-15(7-11-17)14-4-8-16(9-5-14)19(20)12-3-13-19;2-1-3/h4-11H,2-3,12-13,20H2,1H3,(H2,21,22,23);1H,(H,2,3)
InChIKeyAIEFPCZUKCAELM-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.53
Rot. Bonds4

About 1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid

1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid (PubChem CID 172894620) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid.

Molecular Properties

Compound Name1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid
PubChem CID172894620
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid
SMILESCCNC(=O)Nc1ccc(-c2ccc(C3(N)CCC3)cc2)cc1.O=CO
InChIInChI=1S/C19H23N3O.CH2O2/c1-2-21-18(23)22-17-10-6-15(7-11-17)14-4-8-16(9-5-14)19(20)12-3-13-19;2-1-3/h4-11H,2-3,12-13,20H2,1H3,(H2,21,22,23);1H,(H,2,3)
InChIKeyAIEFPCZUKCAELM-UHFFFAOYSA-N
XLogP3.53
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557953
N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
CID 53110621
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
1-ethyl-3-[4-[4-(ethylcarbamoylamino)phenyl]sulfanylphenyl]urea
CID 27276347
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460
1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 4647135
1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119755854
2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide
CID 115055994
N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide
CID 46384112
N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821480
ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate
CID 3344423
ethane;1-(4-methylphenyl)cyclobutan-1-amine
CID 169135941

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid?
The IUPAC name of 1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid (CID 172894620) is 1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid.
What is the SMILES notation for 1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid?
The canonical SMILES for 1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid is CCNC(=O)Nc1ccc(-c2ccc(C3(N)CCC3)cc2)cc1.O=CO.
What is the InChIKey of 1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid?
The InChIKey is AIEFPCZUKCAELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.CH2O2/c1-2-21-18(23)22-17-10-6-15(7-11-17)14-4-8-16(9-5-14)19(20)12-3-13-19;2-1-3/h4-11H,2-3,12-13,20H2,1H3,(H2,21,22,23);1H,(H,2,3).
What are the key properties of 1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid?
1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid has a molecular weight of 355.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1-aminocyclobutyl)phenyl]phenyl]-3-ethylurea;formic acid is sourced from PubChem (CID 172894620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).