N-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide

C27H29N3O4 — CID 40790480

IUPACN-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H29N3O4/c1-20(26(31)29-22-11-13-23(14-12-22)30-15-17-33-18-16-30)34-25-10-6-5-9-24(25)27(32)28-19-21-7-3-2-4-8-21/h2-14,20H,15-19H2,1H3,(H,28,32)(H,29,31)/t20-/m0/s1
InChIKeyRIRUXFMKJNRZJE-FQEVSTJZSA-N
MW459.55 g/mol
LogP3.86
Rot. Bonds8

About N-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide

N-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 40790480) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID40790480
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC NameN-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H29N3O4/c1-20(26(31)29-22-11-13-23(14-12-22)30-15-17-33-18-16-30)34-25-10-6-5-9-24(25)27(32)28-19-21-7-3-2-4-8-21/h2-14,20H,15-19H2,1H3,(H,28,32)(H,29,31)/t20-/m0/s1
InChIKeyRIRUXFMKJNRZJE-FQEVSTJZSA-N
XLogP3.86
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.86
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

2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 41251975
2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide
CID 4285450
2-(2-chlorophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282971
(2S)-2-(1-formylnaphthalen-2-yl)oxy-N-(4-morpholin-4-ylphenyl)propanamide
CID 7763394
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 8913367
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 55318916
N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133235388
N-(4-morpholin-4-ylphenyl)-2-phenoxybenzamide
CID 8961117
2-(2-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166702
2-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980806
(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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of N-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide (CID 40790480) is N-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for N-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for N-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide is C[C@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is RIRUXFMKJNRZJE-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-20(26(31)29-22-11-13-23(14-12-22)30-15-17-33-18-16-30)34-25-10-6-5-9-24(25)27(32)28-19-21-7-3-2-4-8-21/h2-14,20H,15-19H2,1H3,(H,28,32)(H,29,31)/t20-/m0/s1.
What are the key properties of N-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide?
N-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 459.55 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 40790480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).