benzhydryl 4-[(carbamoylamino)methyl]benzoate

C22H20N2O3 — CID 51151702

IUPACbenzhydryl 4-[(carbamoylamino)methyl]benzoate
SMILESNC(=O)NCc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O3/c23-22(26)24-15-16-11-13-19(14-12-16)21(25)27-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H,15H2,(H3,23,24,26)
InChIKeyGXAZKPKEKJTRAB-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.80
Rot. Bonds6

About benzhydryl 4-[(carbamoylamino)methyl]benzoate

benzhydryl 4-[(carbamoylamino)methyl]benzoate (PubChem CID 51151702) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is benzhydryl 4-[(carbamoylamino)methyl]benzoate.

Molecular Properties

Compound Namebenzhydryl 4-[(carbamoylamino)methyl]benzoate
PubChem CID51151702
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Namebenzhydryl 4-[(carbamoylamino)methyl]benzoate
SMILESNC(=O)NCc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O3/c23-22(26)24-15-16-11-13-19(14-12-16)21(25)27-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H,15H2,(H3,23,24,26)
InChIKeyGXAZKPKEKJTRAB-UHFFFAOYSA-N
XLogP3.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzene;benzylurea;hydrazine
CID 68793593
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-[(carbamoylamino)methyl]benzoate
CID 25387385
(2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate
CID 32959565
[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-[(carbamoylamino)methyl]benzoate
CID 32959360
benzhydryl 4-[(4-bromophenoxy)methyl]benzoate
CID 126182392
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
benzhydryl pyridine-4-carboxylate
CID 891439
benzhydryl 4-(trifluoromethyl)benzoate
CID 132819939
[2-oxo-2-(2-phenylpropylamino)ethyl] 4-(acetamidomethyl)benzoate
CID 18195635
(2S)-3-[[4-[(carbamoylamino)methyl]benzoyl]amino]-2-hydroxypropanoic acid
CID 107833643
benzhydryl 3,5-diaminobenzoate
CID 102404480
methyl 4-[(1-phenylethylcarbamoylamino)methyl]benzoate
CID 127567013

Frequently Asked Questions

What is the IUPAC name of benzhydryl 4-[(carbamoylamino)methyl]benzoate?
The IUPAC name of benzhydryl 4-[(carbamoylamino)methyl]benzoate (CID 51151702) is benzhydryl 4-[(carbamoylamino)methyl]benzoate.
What is the SMILES notation for benzhydryl 4-[(carbamoylamino)methyl]benzoate?
The canonical SMILES for benzhydryl 4-[(carbamoylamino)methyl]benzoate is NC(=O)NCc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzhydryl 4-[(carbamoylamino)methyl]benzoate?
The InChIKey is GXAZKPKEKJTRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c23-22(26)24-15-16-11-13-19(14-12-16)21(25)27-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H,15H2,(H3,23,24,26).
What are the key properties of benzhydryl 4-[(carbamoylamino)methyl]benzoate?
benzhydryl 4-[(carbamoylamino)methyl]benzoate has a molecular weight of 360.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 4-[(carbamoylamino)methyl]benzoate is sourced from PubChem (CID 51151702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).