1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea

C19H26N4O — CID 139577324

IUPAC1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea
SMILESCC(C)(C)NC(=O)N(Cc1ccc(N)cc1)Cc1ccc(N)cc1
InChIInChI=1S/C19H26N4O/c1-19(2,3)22-18(24)23(12-14-4-8-16(20)9-5-14)13-15-6-10-17(21)11-7-15/h4-11H,12-13,20-21H2,1-3H3,(H,22,24)
InChIKeyZIEIAKNPUXFPMI-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.36
Rot. Bonds4

About 1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea

1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea (PubChem CID 139577324) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea.

Molecular Properties

Compound Name1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea
PubChem CID139577324
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea
SMILESCC(C)(C)NC(=O)N(Cc1ccc(N)cc1)Cc1ccc(N)cc1
InChIInChI=1S/C19H26N4O/c1-19(2,3)22-18(24)23(12-14-4-8-16(20)9-5-14)13-15-6-10-17(21)11-7-15/h4-11H,12-13,20-21H2,1-3H3,(H,22,24)
InChIKeyZIEIAKNPUXFPMI-UHFFFAOYSA-N
XLogP3.36
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.36
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

1-(2-aminoethyl)-1-benzyl-3-tert-butylurea
CID 61014681
N-(2-amino-2-oxoethyl)-N-[(4-aminophenyl)methyl]-3-methoxy-3-methylbutanamide
CID 103017682
3-tert-butyl-1-hydroxy-1-[(4-phenylphenyl)methyl]urea
CID 19817266
N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 43458748
[4-[[tert-butylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate
CID 4545868
N-[(4-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458688
2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide
CID 115597377
1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
CID 114804346
N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601790
1-[(4-aminophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 43458218
3-tert-butyl-1-[(4-fluorophenyl)methyl]-1-[(4-oxochromen-3-yl)methyl]urea
CID 42783942
N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide
CID 43458719

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea?
The IUPAC name of 1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea (CID 139577324) is 1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea.
What is the SMILES notation for 1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea?
The canonical SMILES for 1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea is CC(C)(C)NC(=O)N(Cc1ccc(N)cc1)Cc1ccc(N)cc1.
What is the InChIKey of 1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea?
The InChIKey is ZIEIAKNPUXFPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-19(2,3)22-18(24)23(12-14-4-8-16(20)9-5-14)13-15-6-10-17(21)11-7-15/h4-11H,12-13,20-21H2,1-3H3,(H,22,24).
What are the key properties of 1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea?
1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea has a molecular weight of 326.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea is sourced from PubChem (CID 139577324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).