2-benzhydryloxyethyl 4-(carbamoylamino)benzoate

C23H22N2O4 — CID 29491093

IUPAC2-benzhydryloxyethyl 4-(carbamoylamino)benzoate
SMILESNC(=O)Nc1ccc(C(=O)OCCOC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O4/c24-23(27)25-20-13-11-19(12-14-20)22(26)29-16-15-28-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H3,24,25,27)
InChIKeyVSLALXWOFWXFHD-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.14
Rot. Bonds8

About 2-benzhydryloxyethyl 4-(carbamoylamino)benzoate

2-benzhydryloxyethyl 4-(carbamoylamino)benzoate (PubChem CID 29491093) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-benzhydryloxyethyl 4-(carbamoylamino)benzoate.

Molecular Properties

Compound Name2-benzhydryloxyethyl 4-(carbamoylamino)benzoate
PubChem CID29491093
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-benzhydryloxyethyl 4-(carbamoylamino)benzoate
SMILESNC(=O)Nc1ccc(C(=O)OCCOC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O4/c24-23(27)25-20-13-11-19(12-14-20)22(26)29-16-15-28-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H3,24,25,27)
InChIKeyVSLALXWOFWXFHD-UHFFFAOYSA-N
XLogP4.14
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzhydryloxyethyl 4-methylsulfonylbenzoate
CID 31523676
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(carbamoylamino)benzoate
CID 42971872
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate
CID 2527993
propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate
CID 54814917
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-(carbamoylamino)benzoate
CID 2527364
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
2-benzoyloxyethyl benzoate;ethene
CID 67969171
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate
CID 19171765
benzhydryl 4-[(carbamoylamino)methyl]benzoate
CID 51151702
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate
CID 7654320

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxyethyl 4-(carbamoylamino)benzoate?
The IUPAC name of 2-benzhydryloxyethyl 4-(carbamoylamino)benzoate (CID 29491093) is 2-benzhydryloxyethyl 4-(carbamoylamino)benzoate.
What is the SMILES notation for 2-benzhydryloxyethyl 4-(carbamoylamino)benzoate?
The canonical SMILES for 2-benzhydryloxyethyl 4-(carbamoylamino)benzoate is NC(=O)Nc1ccc(C(=O)OCCOC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-benzhydryloxyethyl 4-(carbamoylamino)benzoate?
The InChIKey is VSLALXWOFWXFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c24-23(27)25-20-13-11-19(12-14-20)22(26)29-16-15-28-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H3,24,25,27).
What are the key properties of 2-benzhydryloxyethyl 4-(carbamoylamino)benzoate?
2-benzhydryloxyethyl 4-(carbamoylamino)benzoate has a molecular weight of 390.44 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxyethyl 4-(carbamoylamino)benzoate is sourced from PubChem (CID 29491093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).