N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide

C27H37N3O5 — CID 55345333

IUPACN-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(NC(=O)c1ccccc1)C(C)CC
InChIInChI=1S/C27H37N3O5/c1-5-19(4)25(29-26(31)20-11-9-8-10-12-20)27(32)28-21-17-24(35-7-3)22(18-23(21)34-6-2)30-13-15-33-16-14-30/h8-12,17-19,25H,5-7,13-16H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyVOLLWPXXWIYNFR-UHFFFAOYSA-N
MW483.61 g/mol
LogP4.10
Rot. Bonds11

About N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide

N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 55345333) has the molecular formula C27H37N3O5 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID55345333
Molecular FormulaC27H37N3O5
Molecular Weight483.61 g/mol
Exact Mass483.27
IUPAC NameN-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(NC(=O)c1ccccc1)C(C)CC
InChIInChI=1S/C27H37N3O5/c1-5-19(4)25(29-26(31)20-11-9-8-10-12-20)27(32)28-21-17-24(35-7-3)22(18-23(21)34-6-2)30-13-15-33-16-14-30/h8-12,17-19,25H,5-7,13-16H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyVOLLWPXXWIYNFR-UHFFFAOYSA-N
XLogP4.10
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.10
H-Bond Donors ≤ 52
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

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide
CID 3450203
(2S)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 41056650
N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24647913
(2S)-2-(azepan-1-yl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide
CID 9323693
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide
CID 22830164
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 9079458
1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea
CID 8627378
N-[(2S,3S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613117
(2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide
CID 98215981
3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
CID 4853152

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide (CID 55345333) is N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(NC(=O)c1ccccc1)C(C)CC.
What is the InChIKey of N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is VOLLWPXXWIYNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O5/c1-5-19(4)25(29-26(31)20-11-9-8-10-12-20)27(32)28-21-17-24(35-7-3)22(18-23(21)34-6-2)30-13-15-33-16-14-30/h8-12,17-19,25H,5-7,13-16H2,1-4H3,(H,28,32)(H,29,31).
What are the key properties of N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide?
N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 483.61 g/mol, XLogP of 4.10, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 55345333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).