2-[[(1S,3R)-2,2-dimethyl-3-phenylcyclobutyl]amino]-1-morpholin-4-ylethanone

C18H26N2O2 — CID 99603384

IUPAC2-[[(1S,3R)-2,2-dimethyl-3-phenylcyclobutyl]amino]-1-morpholin-4-ylethanone
SMILESCC1(C)[C@@H](NCC(=O)N2CCOCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-18(2)15(14-6-4-3-5-7-14)12-16(18)19-13-17(21)20-8-10-22-11-9-20/h3-7,15-16,19H,8-13H2,1-2H3/t15-,16+/m1/s1
InChIKeyZKJQFWSJSQYDHQ-CVEARBPZSA-N
MW302.42 g/mol
LogP2.02
Rot. Bonds4

About 2-[[(1S,3R)-2,2-dimethyl-3-phenylcyclobutyl]amino]-1-morpholin-4-ylethanone

2-[[(1S,3R)-2,2-dimethyl-3-phenylcyclobutyl]amino]-1-morpholin-4-ylethanone (PubChem CID 99603384) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[[(1S,3R)-2,2-dimethyl-3-phenylcyclobutyl]amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[(1S,3R)-2,2-dimethyl-3-phenylcyclobutyl]amino]-1-morpholin-4-ylethanone
PubChem CID99603384
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-[[(1S,3R)-2,2-dimethyl-3-phenylcyclobutyl]amino]-1-morpholin-4-ylethanone
SMILESCC1(C)[C@@H](NCC(=O)N2CCOCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-18(2)15(14-6-4-3-5-7-14)12-16(18)19-13-17(21)20-8-10-22-11-9-20/h3-7,15-16,19H,8-13H2,1-2H3/t15-,16+/m1/s1
InChIKeyZKJQFWSJSQYDHQ-CVEARBPZSA-N
XLogP2.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(1S,3R)-2,2-dimethyl-3-phenylcyclobutyl]amino]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-morpholin-4-ylethanone
CID 114119064
2-(benzylamino)-1-morpholin-4-ylethanone
CID 23252432
2-[(4,4-dimethylthian-3-yl)amino]-1-morpholin-4-ylethanone
CID 113405955
2-(2,3-dihydro-1H-inden-1-ylamino)-1-morpholin-4-ylethanone
CID 43411223
N-(2-morpholin-4-yl-2-oxoethyl)-2,2-diphenylacetamide
CID 110712346
2-(3-tert-butylanilino)-1-morpholin-4-ylethanone
CID 59090711
1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 97110715
2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 66978926
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone
CID 66395230
3-anilino-1-morpholin-4-yl-3-phenylpropan-1-one
CID 13116197
N-benzyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 78808264
2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone
CID 113352413

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,3R)-2,2-dimethyl-3-phenylcyclobutyl]amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[(1S,3R)-2,2-dimethyl-3-phenylcyclobutyl]amino]-1-morpholin-4-ylethanone (CID 99603384) is 2-[[(1S,3R)-2,2-dimethyl-3-phenylcyclobutyl]amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[(1S,3R)-2,2-dimethyl-3-phenylcyclobutyl]amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[(1S,3R)-2,2-dimethyl-3-phenylcyclobutyl]amino]-1-morpholin-4-ylethanone is CC1(C)[C@@H](NCC(=O)N2CCOCC2)C[C@@H]1c1ccccc1.
What is the InChIKey of 2-[[(1S,3R)-2,2-dimethyl-3-phenylcyclobutyl]amino]-1-morpholin-4-ylethanone?
The InChIKey is ZKJQFWSJSQYDHQ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2)15(14-6-4-3-5-7-14)12-16(18)19-13-17(21)20-8-10-22-11-9-20/h3-7,15-16,19H,8-13H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of 2-[[(1S,3R)-2,2-dimethyl-3-phenylcyclobutyl]amino]-1-morpholin-4-ylethanone?
2-[[(1S,3R)-2,2-dimethyl-3-phenylcyclobutyl]amino]-1-morpholin-4-ylethanone has a molecular weight of 302.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,3R)-2,2-dimethyl-3-phenylcyclobutyl]amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 99603384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).