2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid

C27H35N3O6 — CID 22135012

IUPAC2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid
SMILESCOc1ccc(C(=O)N(CC(=O)NCC2CCN(C(C)C)CC2)c2ccccc2OCC(=O)O)cc1
InChIInChI=1S/C27H35N3O6/c1-19(2)29-14-12-20(13-15-29)16-28-25(31)17-30(27(34)21-8-10-22(35-3)11-9-21)23-6-4-5-7-24(23)36-18-26(32)33/h4-11,19-20H,12-18H2,1-3H3,(H,28,31)(H,32,33)
InChIKeyMFTMTRMPKUEPAE-UHFFFAOYSA-N
MW497.59 g/mol
LogP3.04
Rot. Bonds11

About 2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid

2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid (PubChem CID 22135012) has the molecular formula C27H35N3O6 and a molecular weight of 497.59 g/mol. Its IUPAC name is 2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid
PubChem CID22135012
Molecular FormulaC27H35N3O6
Molecular Weight497.59 g/mol
Exact Mass497.25
IUPAC Name2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid
SMILESCOc1ccc(C(=O)N(CC(=O)NCC2CCN(C(C)C)CC2)c2ccccc2OCC(=O)O)cc1
InChIInChI=1S/C27H35N3O6/c1-19(2)29-14-12-20(13-15-29)16-28-25(31)17-30(27(34)21-8-10-22(35-3)11-9-21)23-6-4-5-7-24(23)36-18-26(32)33/h4-11,19-20H,12-18H2,1-3H3,(H,28,31)(H,32,33)
InChIKeyMFTMTRMPKUEPAE-UHFFFAOYSA-N
XLogP3.04
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid with MolForge

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Related Compounds

N-(2-formamidophenyl)-4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]benzamide
CID 87903290
4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
CID 16895405
2-phenoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide
CID 16895414
3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide
CID 22135175
N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide
CID 22135179
1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 20801223
N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886626
3-methyl-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]-N-phenyl-1H-indole-6-carboxamide;2,2,2-trifluoroacetic acid
CID 22134989
N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97202298
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
N-[(1-ethylpiperidin-4-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 51092761
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid (CID 22135012) is 2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid is COc1ccc(C(=O)N(CC(=O)NCC2CCN(C(C)C)CC2)c2ccccc2OCC(=O)O)cc1.
What is the InChIKey of 2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid?
The InChIKey is MFTMTRMPKUEPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O6/c1-19(2)29-14-12-20(13-15-29)16-28-25(31)17-30(27(34)21-8-10-22(35-3)11-9-21)23-6-4-5-7-24(23)36-18-26(32)33/h4-11,19-20H,12-18H2,1-3H3,(H,28,31)(H,32,33).
What are the key properties of 2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid?
2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid has a molecular weight of 497.59 g/mol, XLogP of 3.04, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 22135012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).