1,1-bis[2-(4-aminophenyl)ethyl]urea

C17H22N4O — CID 141311384

IUPAC1,1-bis[2-(4-aminophenyl)ethyl]urea
SMILESNC(=O)N(CCc1ccc(N)cc1)CCc1ccc(N)cc1
InChIInChI=1S/C17H22N4O/c18-15-5-1-13(2-6-15)9-11-21(17(20)22)12-10-14-3-7-16(19)8-4-14/h1-8H,9-12,18-19H2,(H2,20,22)
InChIKeySFFFXTLVJAICEL-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.02
Rot. Bonds6

About 1,1-bis[2-(4-aminophenyl)ethyl]urea

1,1-bis[2-(4-aminophenyl)ethyl]urea (PubChem CID 141311384) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1,1-bis[2-(4-aminophenyl)ethyl]urea.

Molecular Properties

Compound Name1,1-bis[2-(4-aminophenyl)ethyl]urea
PubChem CID141311384
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1,1-bis[2-(4-aminophenyl)ethyl]urea
SMILESNC(=O)N(CCc1ccc(N)cc1)CCc1ccc(N)cc1
InChIInChI=1S/C17H22N4O/c18-15-5-1-13(2-6-15)9-11-21(17(20)22)12-10-14-3-7-16(19)8-4-14/h1-8H,9-12,18-19H2,(H2,20,22)
InChIKeySFFFXTLVJAICEL-UHFFFAOYSA-N
XLogP2.02
TPSA98.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694
2-[2-(4-aminophenyl)ethyl-methylamino]-3-methylbut-2-enoic acid
CID 144736660
tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate
CID 10083475
1-docosyl-1-[3-(4-hydroxyphenyl)propyl]urea
CID 70039834
1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 115168591
1-[2-(4-ethylphenyl)ethyl]-1-methylurea
CID 115168590
1-amino-1-[2-(4-chlorophenyl)ethyl]urea
CID 66954070
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide
CID 43574920
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 55258212
4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline
CID 115212571
2-(4-aminophenyl)ethyl-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]carbamic acid
CID 69052441

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[2-(4-aminophenyl)ethyl]urea?
The IUPAC name of 1,1-bis[2-(4-aminophenyl)ethyl]urea (CID 141311384) is 1,1-bis[2-(4-aminophenyl)ethyl]urea.
What is the SMILES notation for 1,1-bis[2-(4-aminophenyl)ethyl]urea?
The canonical SMILES for 1,1-bis[2-(4-aminophenyl)ethyl]urea is NC(=O)N(CCc1ccc(N)cc1)CCc1ccc(N)cc1.
What is the InChIKey of 1,1-bis[2-(4-aminophenyl)ethyl]urea?
The InChIKey is SFFFXTLVJAICEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c18-15-5-1-13(2-6-15)9-11-21(17(20)22)12-10-14-3-7-16(19)8-4-14/h1-8H,9-12,18-19H2,(H2,20,22).
What are the key properties of 1,1-bis[2-(4-aminophenyl)ethyl]urea?
1,1-bis[2-(4-aminophenyl)ethyl]urea has a molecular weight of 298.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[2-(4-aminophenyl)ethyl]urea is sourced from PubChem (CID 141311384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).