2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide

C26H27N3O4 — CID 41251975

IUPAC2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
SMILESC[C@@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H27N3O4/c1-19(25(30)27-21-11-13-22(14-12-21)29-15-17-32-18-16-29)33-24-10-6-5-9-23(24)26(31)28-20-7-3-2-4-8-20/h2-14,19H,15-18H2,1H3,(H,27,30)(H,28,31)/t19-/m1/s1
InChIKeyNWEHTDWLRFYUKM-LJQANCHMSA-N
MW445.52 g/mol
LogP4.18
Rot. Bonds7

About 2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide

2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide (PubChem CID 41251975) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
PubChem CID41251975
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
SMILESC[C@@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H27N3O4/c1-19(25(30)27-21-11-13-22(14-12-21)29-15-17-32-18-16-29)33-24-10-6-5-9-23(24)26(31)28-20-7-3-2-4-8-20/h2-14,19H,15-18H2,1H3,(H,27,30)(H,28,31)/t19-/m1/s1
InChIKeyNWEHTDWLRFYUKM-LJQANCHMSA-N
XLogP4.18
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 40790480
N-(4-morpholin-4-ylphenyl)-2-phenoxybenzamide
CID 8961117
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide
CID 50946132
2-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980806
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 55318916
2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980902
2-(2-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166702
(2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 39126898
N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974842
(2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide
CID 7763394
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758
2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269457

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
The IUPAC name of 2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide (CID 41251975) is 2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide.
What is the SMILES notation for 2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
The canonical SMILES for 2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide is C[C@@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
The InChIKey is NWEHTDWLRFYUKM-LJQANCHMSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-19(25(30)27-21-11-13-22(14-12-21)29-15-17-32-18-16-29)33-24-10-6-5-9-23(24)26(31)28-20-7-3-2-4-8-20/h2-14,19H,15-18H2,1H3,(H,27,30)(H,28,31)/t19-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide has a molecular weight of 445.52 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide is sourced from PubChem (CID 41251975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).