N-benzyl-1-phenylmethanamine;1,1-dibenzyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]urea

C42H48N4O2 — CID 67914803

IUPACN-benzyl-1-phenylmethanamine;1,1-dibenzyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)N(Cc1ccccc1)Cc1ccccc1.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C28H33N3O2.C14H15N/c1-20(2)24-16-11-17-25(21(3)4)26(24)29-27(32)30-28(33)31(18-22-12-7-5-8-13-22)19-23-14-9-6-10-15-23;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h5-17,20-21H,18-19H2,1-4H3,(H2,29,30,32,33);1-10,15H,11-12H2
InChIKeyOMAMTXTYMVZWNR-UHFFFAOYSA-N
MW640.87 g/mol
LogP9.85
Rot. Bonds11

About N-benzyl-1-phenylmethanamine;1,1-dibenzyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]urea

N-benzyl-1-phenylmethanamine;1,1-dibenzyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]urea (PubChem CID 67914803) has the molecular formula C42H48N4O2 and a molecular weight of 640.87 g/mol. Its IUPAC name is N-benzyl-1-phenylmethanamine;1,1-dibenzyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]urea.

Molecular Properties

Compound NameN-benzyl-1-phenylmethanamine;1,1-dibenzyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]urea
PubChem CID67914803
Molecular FormulaC42H48N4O2
Molecular Weight640.87 g/mol
Exact Mass640.38
IUPAC NameN-benzyl-1-phenylmethanamine;1,1-dibenzyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)N(Cc1ccccc1)Cc1ccccc1.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C28H33N3O2.C14H15N/c1-20(2)24-16-11-17-25(21(3)4)26(24)29-27(32)30-28(33)31(18-22-12-7-5-8-13-22)19-23-14-9-6-10-15-23;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h5-17,20-21H,18-19H2,1-4H3,(H2,29,30,32,33);1-10,15H,11-12H2
InChIKeyOMAMTXTYMVZWNR-UHFFFAOYSA-N
XLogP9.85
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.87
LogP ≤ 59.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea
CID 19874853
N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide
CID 11223159
2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8541792
1-benzyl-3-[2,6-di(propan-2-yl)phenyl]-1-(4-phenylcyclohexyl)urea
CID 3072996
1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea
CID 108989019
1,1-dibenzyl-3-propan-2-ylurea
CID 23988482
2-N-benzyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109135109
3-[2,6-di(propan-2-yl)phenyl]-1,1-bis(pyridin-2-ylmethyl)urea
CID 23737954
2-[[4-(dimethylamino)phenyl]methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 19874958
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395
N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997808

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylmethanamine;1,1-dibenzyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]urea?
The IUPAC name of N-benzyl-1-phenylmethanamine;1,1-dibenzyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]urea (CID 67914803) is N-benzyl-1-phenylmethanamine;1,1-dibenzyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]urea.
What is the SMILES notation for N-benzyl-1-phenylmethanamine;1,1-dibenzyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]urea?
The canonical SMILES for N-benzyl-1-phenylmethanamine;1,1-dibenzyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)N(Cc1ccccc1)Cc1ccccc1.c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-phenylmethanamine;1,1-dibenzyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]urea?
The InChIKey is OMAMTXTYMVZWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2.C14H15N/c1-20(2)24-16-11-17-25(21(3)4)26(24)29-27(32)30-28(33)31(18-22-12-7-5-8-13-22)19-23-14-9-6-10-15-23;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h5-17,20-21H,18-19H2,1-4H3,(H2,29,30,32,33);1-10,15H,11-12H2.
What are the key properties of N-benzyl-1-phenylmethanamine;1,1-dibenzyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]urea?
N-benzyl-1-phenylmethanamine;1,1-dibenzyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]urea has a molecular weight of 640.87 g/mol, XLogP of 9.85, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylmethanamine;1,1-dibenzyl-3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]urea is sourced from PubChem (CID 67914803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).