1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea

C10H15N5O2 — CID 83121373

IUPAC1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea
SMILESNC(=O)NCCNC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C10H15N5O2/c11-7-1-3-8(4-2-7)15-10(17)14-6-5-13-9(12)16/h1-4H,5-6,11H2,(H3,12,13,16)(H2,14,15,17)
InChIKeyNFCKUYJRPBSIRK-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.06
Rot. Bonds4

About 1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea

1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea (PubChem CID 83121373) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea
PubChem CID83121373
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea
SMILESNC(=O)NCCNC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C10H15N5O2/c11-7-1-3-8(4-2-7)15-10(17)14-6-5-13-9(12)16/h1-4H,5-6,11H2,(H3,12,13,16)(H2,14,15,17)
InChIKeyNFCKUYJRPBSIRK-UHFFFAOYSA-N
XLogP0.06
TPSA122.27 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-3-(2-chloroethyl)urea
CID 108896976
1-(4-aminophenyl)-3-butylurea
CID 28785616
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CID 47002126
1-(4-aminophenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 55097980
1-(4-aminophenyl)-3-[2-(4-bromophenyl)ethyl]urea
CID 108897083
1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea
CID 61167083
1-(4-aminophenyl)-3-(4-phenylbutyl)urea
CID 108897090
1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea
CID 106340062
1-(4-aminophenyl)-3-(3-ethoxypropyl)urea
CID 43469047
1-(4-aminophenyl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62991029
1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea
CID 54954990
1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108897076

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea?
The IUPAC name of 1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea (CID 83121373) is 1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea?
The canonical SMILES for 1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea is NC(=O)NCCNC(=O)Nc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea?
The InChIKey is NFCKUYJRPBSIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c11-7-1-3-8(4-2-7)15-10(17)14-6-5-13-9(12)16/h1-4H,5-6,11H2,(H3,12,13,16)(H2,14,15,17).
What are the key properties of 1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea?
1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea has a molecular weight of 237.26 g/mol, XLogP of 0.06, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea is sourced from PubChem (CID 83121373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).