(2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide

C20H23FN4O3 — CID 97077185

IUPAC(2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide
SMILESNC(=O)NCc1ccc(NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)cc1
InChIInChI=1S/C20H23FN4O3/c21-16-3-1-2-15(12-16)18(25-8-10-28-11-9-25)19(26)24-17-6-4-14(5-7-17)13-23-20(22)27/h1-7,12,18H,8-11,13H2,(H,24,26)(H3,22,23,27)/t18-/m0/s1
InChIKeyLMRUULVTNASVKH-SFHVURJKSA-N
MW386.43 g/mol
LogP2.01
Rot. Bonds6

About (2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide

(2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide (PubChem CID 97077185) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is (2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound Name(2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide
PubChem CID97077185
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name(2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide
SMILESNC(=O)NCc1ccc(NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)cc1
InChIInChI=1S/C20H23FN4O3/c21-16-3-1-2-15(12-16)18(25-8-10-28-11-9-25)19(26)24-17-6-4-14(5-7-17)13-23-20(22)27/h1-7,12,18H,8-11,13H2,(H,24,26)(H3,22,23,27)/t18-/m0/s1
InChIKeyLMRUULVTNASVKH-SFHVURJKSA-N
XLogP2.01
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
CID 119630100
N-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
CID 119499108
methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate
CID 116860419
N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide
CID 71998621
2-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-morpholin-4-ylacetamide
CID 120947167
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 111561979
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110916922
1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890407
2-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-morpholin-4-ylacetamide
CID 71912984
(2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid
CID 125134200

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of (2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide (CID 97077185) is (2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for (2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for (2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide is NC(=O)NCc1ccc(NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)cc1.
What is the InChIKey of (2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is LMRUULVTNASVKH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23FN4O3/c21-16-3-1-2-15(12-16)18(25-8-10-28-11-9-25)19(26)24-17-6-4-14(5-7-17)13-23-20(22)27/h1-7,12,18H,8-11,13H2,(H,24,26)(H3,22,23,27)/t18-/m0/s1.
What are the key properties of (2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide?
(2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide has a molecular weight of 386.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 97077185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).