1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea

C22H33N3O2 — CID 112834684

IUPAC1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
SMILESO=C(NCCC1CC2CCC1C2)NC(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H33N3O2/c26-22(23-9-8-20-15-17-6-7-19(20)14-17)24-21(18-4-2-1-3-5-18)16-25-10-12-27-13-11-25/h1-5,17,19-21H,6-16H2,(H2,23,24,26)
InChIKeyQUOKVGTZWWVWOM-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.19
Rot. Bonds7

About 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea

1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea (PubChem CID 112834684) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
PubChem CID112834684
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
SMILESO=C(NCCC1CC2CCC1C2)NC(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H33N3O2/c26-22(23-9-8-20-15-17-6-7-19(20)14-17)24-21(18-4-2-1-3-5-18)16-25-10-12-27-13-11-25/h1-5,17,19-21H,6-16H2,(H2,23,24,26)
InChIKeyQUOKVGTZWWVWOM-UHFFFAOYSA-N
XLogP3.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea with MolForge

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Related Compounds

[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 42954314
1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 78860899
1-(2-morpholin-4-yl-1-phenylethyl)-3-(2-naphthalen-2-yloxyethyl)urea
CID 112817994
1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 112818589
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 97081218
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9150147
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 9149359
4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride
CID 119835993
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 98786152

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea (CID 112834684) is 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea is O=C(NCCC1CC2CCC1C2)NC(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea?
The InChIKey is QUOKVGTZWWVWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c26-22(23-9-8-20-15-17-6-7-19(20)14-17)24-21(18-4-2-1-3-5-18)16-25-10-12-27-13-11-25/h1-5,17,19-21H,6-16H2,(H2,23,24,26).
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea?
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea has a molecular weight of 371.53 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea is sourced from PubChem (CID 112834684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).