1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea

C14H22N4O2 — CID 89176278

IUPAC1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea
SMILESCOc1cc(NC(=O)NCCN2CCCC2)ccc1N
InChIInChI=1S/C14H22N4O2/c1-20-13-10-11(4-5-12(13)15)17-14(19)16-6-9-18-7-2-3-8-18/h4-5,10H,2-3,6-9,15H2,1H3,(H2,16,17,19)
InChIKeyDGEDFRKPXRHXKX-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.49
Rot. Bonds5

About 1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea

1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea (PubChem CID 89176278) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea
PubChem CID89176278
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea
SMILESCOc1cc(NC(=O)NCCN2CCCC2)ccc1N
InChIInChI=1S/C14H22N4O2/c1-20-13-10-11(4-5-12(13)15)17-14(19)16-6-9-18-7-2-3-8-18/h4-5,10H,2-3,6-9,15H2,1H3,(H2,16,17,19)
InChIKeyDGEDFRKPXRHXKX-UHFFFAOYSA-N
XLogP1.49
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea 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-amino-3-methoxyphenyl)-3-butylurea
CID 61241787
1-(4-aminophenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 55097980
1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 2225448
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea
CID 1258258
1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 60797109
N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide
CID 143531621
1-(3,4-dimethoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522900
1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea
CID 6470232
N,N,2-trimethyl-4-(2-piperidin-1-ylethylcarbamoylamino)benzamide
CID 71874325
1-(3,4-dimethoxyphenyl)-3-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]urea
CID 97453201
1-(4-aminophenyl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62991029
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea (CID 89176278) is 1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea is COc1cc(NC(=O)NCCN2CCCC2)ccc1N.
What is the InChIKey of 1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea?
The InChIKey is DGEDFRKPXRHXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-13-10-11(4-5-12(13)15)17-14(19)16-6-9-18-7-2-3-8-18/h4-5,10H,2-3,6-9,15H2,1H3,(H2,16,17,19).
What are the key properties of 1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea?
1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea has a molecular weight of 278.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 89176278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).