2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide

C22H27N3O3 — CID 126432738

IUPAC2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(-c2ccc(C(=O)N3CCO[C@@H](CCN)C3)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-24-21(26)14-16-2-4-17(5-3-16)18-6-8-19(9-7-18)22(27)25-12-13-28-20(15-25)10-11-23/h2-9,20H,10-15,23H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyYHWBSCUOTCXFLY-FQEVSTJZSA-N
MW381.48 g/mol
LogP1.83
Rot. Bonds6

About 2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide

2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide (PubChem CID 126432738) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide
PubChem CID126432738
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(-c2ccc(C(=O)N3CCO[C@@H](CCN)C3)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-24-21(26)14-16-2-4-17(5-3-16)18-6-8-19(9-7-18)22(27)25-12-13-28-20(15-25)10-11-23/h2-9,20H,10-15,23H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyYHWBSCUOTCXFLY-FQEVSTJZSA-N
XLogP1.83
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide
CID 121497565
4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide
CID 122565784
[2-(2-aminoethyl)morpholin-4-yl]-[4-[6-(cyclopropylamino)pyridazin-3-yl]phenyl]methanone;dihydrochloride
CID 154907559
2-[4-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]phenyl]-N-methylacetamide
CID 126450765
(2S)-2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide
CID 97437793
2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide
CID 72872596
[2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride
CID 154899649
methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate
CID 115535924
(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
CID 26407031
2-[(2S)-4-[4-(3,4,5-trifluorophenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702697
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437
[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide (CID 126432738) is 2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(-c2ccc(C(=O)N3CCO[C@@H](CCN)C3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide?
The InChIKey is YHWBSCUOTCXFLY-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-24-21(26)14-16-2-4-17(5-3-16)18-6-8-19(9-7-18)22(27)25-12-13-28-20(15-25)10-11-23/h2-9,20H,10-15,23H2,1H3,(H,24,26)/t20-/m0/s1.
What are the key properties of 2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide?
2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide has a molecular weight of 381.48 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 126432738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).