methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate

C23H28N2O5 — CID 43913710

IUPACmethyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C(=O)OC)c2)cc1
InChIInChI=1S/C23H28N2O5/c1-4-16(2)30-19-8-5-17(6-9-19)22(26)24-18-7-10-21(20(15-18)23(27)28-3)25-11-13-29-14-12-25/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,26)
InChIKeyZTMDVRJHDIRLDB-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.74
Rot. Bonds7

About methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate

methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate (PubChem CID 43913710) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate
PubChem CID43913710
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Namemethyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C(=O)OC)c2)cc1
InChIInChI=1S/C23H28N2O5/c1-4-16(2)30-19-8-5-17(6-9-19)22(26)24-18-7-10-21(20(15-18)23(27)28-3)25-11-13-29-14-12-25/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,26)
InChIKeyZTMDVRJHDIRLDB-UHFFFAOYSA-N
XLogP3.74
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate with MolForge

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Related Compounds

methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate
CID 7328734
4-[(2S)-butan-2-yl]oxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 40864770
4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide
CID 17091477
ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328776
methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 6463110
4-[(2S)-butan-2-yl]oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 40598598
4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2940925
methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 2809863
ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4903199
4-butan-2-yloxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 3287448
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328431

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate?
The IUPAC name of methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate (CID 43913710) is methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate is CCC(C)Oc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate?
The InChIKey is ZTMDVRJHDIRLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-4-16(2)30-19-8-5-17(6-9-19)22(26)24-18-7-10-21(20(15-18)23(27)28-3)25-11-13-29-14-12-25/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,26).
What are the key properties of methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate?
methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate has a molecular weight of 412.49 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-butan-2-yloxybenzoyl)amino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 43913710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).