1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea

C22H25N3O5 — CID 96528076

IUPAC1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea
SMILESO=C(Nc1ccccc1OCC(=O)N1CCOCC1)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C22H25N3O5/c26-21(25-10-13-28-14-11-25)15-30-20-8-4-2-6-18(20)24-22(27)23-17-9-12-29-19-7-3-1-5-16(17)19/h1-8,17H,9-15H2,(H2,23,24,27)/t17-/m0/s1
InChIKeyLFAWQVVCMCYSPC-KRWDZBQOSA-N
MW411.46 g/mol
LogP2.57
Rot. Bonds5

About 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea

1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea (PubChem CID 96528076) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea
PubChem CID96528076
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea
SMILESO=C(Nc1ccccc1OCC(=O)N1CCOCC1)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C22H25N3O5/c26-21(25-10-13-28-14-11-25)15-30-20-8-4-2-6-18(20)24-22(27)23-17-9-12-29-19-7-3-1-5-16(17)19/h1-8,17H,9-15H2,(H2,23,24,27)/t17-/m0/s1
InChIKeyLFAWQVVCMCYSPC-KRWDZBQOSA-N
XLogP2.57
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea with MolForge

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Related Compounds

N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide
CID 119341376
1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 167867977
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
CID 110866349
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxyethyl)urea
CID 97083391
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46829045
1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea
CID 51082005
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 4689898

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea?
The IUPAC name of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea (CID 96528076) is 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea.
What is the SMILES notation for 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea?
The canonical SMILES for 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea is O=C(Nc1ccccc1OCC(=O)N1CCOCC1)N[C@H]1CCOc2ccccc21.
What is the InChIKey of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea?
The InChIKey is LFAWQVVCMCYSPC-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25N3O5/c26-21(25-10-13-28-14-11-25)15-30-20-8-4-2-6-18(20)24-22(27)23-17-9-12-29-19-7-3-1-5-16(17)19/h1-8,17H,9-15H2,(H2,23,24,27)/t17-/m0/s1.
What are the key properties of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea?
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea has a molecular weight of 411.46 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea is sourced from PubChem (CID 96528076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).