benzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate

C19H21N3O4 — CID 90204404

IUPACbenzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate
SMILESNC(=O)c1ccc(N2CCOCC2)c(NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H21N3O4/c20-18(23)15-6-7-17(22-8-10-25-11-9-22)16(12-15)21-19(24)26-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,20,23)(H,21,24)
InChIKeyOUWQJKUWGVNSNH-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.37
Rot. Bonds5

About benzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate

benzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate (PubChem CID 90204404) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is benzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate
PubChem CID90204404
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Namebenzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate
SMILESNC(=O)c1ccc(N2CCOCC2)c(NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H21N3O4/c20-18(23)15-6-7-17(22-8-10-25-11-9-22)16(12-15)21-19(24)26-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,20,23)(H,21,24)
InChIKeyOUWQJKUWGVNSNH-UHFFFAOYSA-N
XLogP2.37
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)carbamate
CID 110400424
N-(5-benzoyl-2-morpholin-4-ylphenyl)-2-phenylacetamide
CID 2204318
3-(4-methylpiperazin-1-yl)-4-(phenylmethoxycarbonylamino)benzoic acid
CID 118536103
4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide
CID 11280085
3-[(4-ethynylbenzoyl)amino]-4-morpholin-4-ylbenzamide
CID 652860
2-[(5-ethoxycarbonyl-2-morpholin-4-ylphenyl)carbamoyl]benzoic acid
CID 2811007
benzyl N-morpholin-4-ylcarbamate
CID 54530052
4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid
CID 60827338
3-[(2-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052916
4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide
CID 18139156
benzyl N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]carbamate
CID 67225663
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate?
The IUPAC name of benzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate (CID 90204404) is benzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate.
What is the SMILES notation for benzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate?
The canonical SMILES for benzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate is NC(=O)c1ccc(N2CCOCC2)c(NC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate?
The InChIKey is OUWQJKUWGVNSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c20-18(23)15-6-7-17(22-8-10-25-11-9-22)16(12-15)21-19(24)26-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,20,23)(H,21,24).
What are the key properties of benzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate?
benzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate has a molecular weight of 355.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate is sourced from PubChem (CID 90204404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).