1-(3,3-diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea

C30H35N7O2 — CID 16736327

IUPAC1-(3,3-diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCn1nnc(-c2cccc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)c2)n1
InChIInChI=1S/C30H35N7O2/c1-35-33-29(32-34-35)26-13-8-14-27(23-26)31-30(38)37(18-17-36-19-21-39-22-20-36)16-15-28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-14,23,28H,15-22H2,1H3,(H,31,38)
InChIKeyOESISWLNEDNSIO-UHFFFAOYSA-N
MW525.66 g/mol
LogP4.27
Rot. Bonds10

About 1-(3,3-diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea

1-(3,3-diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea (PubChem CID 16736327) has the molecular formula C30H35N7O2 and a molecular weight of 525.66 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea
PubChem CID16736327
Molecular FormulaC30H35N7O2
Molecular Weight525.66 g/mol
Exact Mass525.29
IUPAC Name1-(3,3-diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCn1nnc(-c2cccc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)c2)n1
InChIInChI=1S/C30H35N7O2/c1-35-33-29(32-34-35)26-13-8-14-27(23-26)31-30(38)37(18-17-36-19-21-39-22-20-36)16-15-28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-14,23,28H,15-22H2,1H3,(H,31,38)
InChIKeyOESISWLNEDNSIO-UHFFFAOYSA-N
XLogP4.27
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.66
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3,3-diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea with MolForge

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Related Compounds

1-(6-(((S)-3-(4-fluorobenzyl) piperidin-1-yl)methyl)-3,5-dimethyl-2-oxo-1,3-oxazinan-5-yl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea
CID 44570583
1-(3,3-Diphenylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea
CID 16735684
N-(2-Morpholin-4-yl-phenyl)-2-(5-p-tolyl-tetrazol-2-yl)-acetamide
CID 644884
N-(2,6-Dimethyl-phenyl)-2-[5-(4-morpholin-4-yl-phenyl)-tetrazol-2-yl]-acetamide
CID 645326
2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]-N-[2-(4-morpholinyl)phenyl]acetamide
CID 646660
N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1136633
2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide
CID 1157274
1-[2-[bis(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-methyl-3-(4-methylphenyl)urea
CID 145967348
3-[2-[bis(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-methyl-1-(4-methylphenyl)urea
CID 145973699
3-Methyl-N-{2-[2-(2-morpholin-4-yl-2-oxo-ethyl)-2H-tetrazol-5-yl]-phenyl}-butyramide
CID 650637
N-(2-Morpholin-4-yl-phenyl)-2-(5-phenyl-tetrazol-2-yl)-acetamide
CID 646319
N-(2-methylphenyl)-2-[5-[4-(4-morpholinyl)phenyl]-2-tetrazolyl]acetamide
CID 652930

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea (CID 16736327) is 1-(3,3-diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea is Cn1nnc(-c2cccc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)c2)n1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is OESISWLNEDNSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O2/c1-35-33-29(32-34-35)26-13-8-14-27(23-26)31-30(38)37(18-17-36-19-21-39-22-20-36)16-15-28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-14,23,28H,15-22H2,1H3,(H,31,38).
What are the key properties of 1-(3,3-diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea?
1-(3,3-diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 525.66 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 16736327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).