amino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate

C22H25N3O4 — CID 67253570

IUPACamino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate
SMILESCOc1ccc(Cn2cc(CN3CCOCC3)c3ccc(C(=O)ON)cc32)cc1
InChIInChI=1S/C22H25N3O4/c1-27-19-5-2-16(3-6-19)13-25-15-18(14-24-8-10-28-11-9-24)20-7-4-17(12-21(20)25)22(26)29-23/h2-7,12,15H,8-11,13-14,23H2,1H3
InChIKeyPBLNYRHDZSPNPM-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.56
Rot. Bonds6

About amino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate

amino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate (PubChem CID 67253570) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is amino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate.

Molecular Properties

Compound Nameamino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate
PubChem CID67253570
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Nameamino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate
SMILESCOc1ccc(Cn2cc(CN3CCOCC3)c3ccc(C(=O)ON)cc32)cc1
InChIInChI=1S/C22H25N3O4/c1-27-19-5-2-16(3-6-19)13-25-15-18(14-24-8-10-28-11-9-24)20-7-4-17(12-21(20)25)22(26)29-23/h2-7,12,15H,8-11,13-14,23H2,1H3
InChIKeyPBLNYRHDZSPNPM-UHFFFAOYSA-N
XLogP2.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide
CID 24753808
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 8991176
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate
CID 67322163
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
methyl 4-amino-3-(morpholin-4-ylmethyl)benzoate
CID 142435878
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate
CID 18710298
3-[(dimethylamino)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carbothioamide
CID 87641707
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
ethyl 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]acetate
CID 10831090

Frequently Asked Questions

What is the IUPAC name of amino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate?
The IUPAC name of amino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate (CID 67253570) is amino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate.
What is the SMILES notation for amino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate?
The canonical SMILES for amino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate is COc1ccc(Cn2cc(CN3CCOCC3)c3ccc(C(=O)ON)cc32)cc1.
What is the InChIKey of amino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate?
The InChIKey is PBLNYRHDZSPNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-27-19-5-2-16(3-6-19)13-25-15-18(14-24-8-10-28-11-9-24)20-7-4-17(12-21(20)25)22(26)29-23/h2-7,12,15H,8-11,13-14,23H2,1H3.
What are the key properties of amino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate?
amino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for amino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate is sourced from PubChem (CID 67253570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).