N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide

C21H25N3O5 — CID 6723845

IUPACN-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H](CO)C(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C21H25N3O5/c1-28-18-4-2-3-15(13-18)20(26)23-19(14-25)21(27)22-16-5-7-17(8-6-16)24-9-11-29-12-10-24/h2-8,13,19,25H,9-12,14H2,1H3,(H,22,27)(H,23,26)/t19-/m0/s1
InChIKeyNUAXCBNEMYOEGF-IBGZPJMESA-N
MW399.45 g/mol
LogP1.26
Rot. Bonds7

About N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide

N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide (PubChem CID 6723845) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide
PubChem CID6723845
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H](CO)C(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C21H25N3O5/c1-28-18-4-2-3-15(13-18)20(26)23-19(14-25)21(27)22-16-5-7-17(8-6-16)24-9-11-29-12-10-24/h2-8,13,19,25H,9-12,14H2,1H3,(H,22,27)(H,23,26)/t19-/m0/s1
InChIKeyNUAXCBNEMYOEGF-IBGZPJMESA-N
XLogP1.26
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722855
methyl 3-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7989999
N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide
CID 4228233
N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-3-methoxybenzamide
CID 6723842
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724682
2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide
CID 4170146
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592727
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 6723497
2-[(3-methoxyphenyl)methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2404248
ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984389
N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 28688979

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide (CID 6723845) is N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)N[C@@H](CO)C(=O)Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide?
The InChIKey is NUAXCBNEMYOEGF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N3O5/c1-28-18-4-2-3-15(13-18)20(26)23-19(14-25)21(27)22-16-5-7-17(8-6-16)24-9-11-29-12-10-24/h2-8,13,19,25H,9-12,14H2,1H3,(H,22,27)(H,23,26)/t19-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide?
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide has a molecular weight of 399.45 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 6723845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).