N-(2-formamidophenyl)-4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]benzamide

C26H34N4O4 — CID 87903290

IUPACN-(2-formamidophenyl)-4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)N(CC(=O)NCC2CCN(C(C)C)CC2)c2ccccc2NC=O)cc1
InChIInChI=1S/C26H34N4O4/c1-19(2)29-14-12-20(13-15-29)16-27-25(32)17-30(24-7-5-4-6-23(24)28-18-31)26(33)21-8-10-22(34-3)11-9-21/h4-11,18-20H,12-17H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyZCWBCMUQFHOHTE-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.15
Rot. Bonds10

About N-(2-formamidophenyl)-4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]benzamide

N-(2-formamidophenyl)-4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]benzamide (PubChem CID 87903290) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is N-(2-formamidophenyl)-4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-(2-formamidophenyl)-4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]benzamide
PubChem CID87903290
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC NameN-(2-formamidophenyl)-4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)N(CC(=O)NCC2CCN(C(C)C)CC2)c2ccccc2NC=O)cc1
InChIInChI=1S/C26H34N4O4/c1-19(2)29-14-12-20(13-15-29)16-27-25(32)17-30(24-7-5-4-6-23(24)28-18-31)26(33)21-8-10-22(34-3)11-9-21/h4-11,18-20H,12-17H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyZCWBCMUQFHOHTE-UHFFFAOYSA-N
XLogP3.15
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-methoxybenzoyl)-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]amino]phenoxy]acetic acid
CID 22135012
4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
CID 16895405
N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97202298
2-phenoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide
CID 16895414
1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 20801223
3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide
CID 22135175
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
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide
CID 22135179
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
N'-(2-fluorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886603
N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886626

Frequently Asked Questions

What is the IUPAC name of N-(2-formamidophenyl)-4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]benzamide?
The IUPAC name of N-(2-formamidophenyl)-4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]benzamide (CID 87903290) is N-(2-formamidophenyl)-4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]benzamide.
What is the SMILES notation for N-(2-formamidophenyl)-4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]benzamide?
The canonical SMILES for N-(2-formamidophenyl)-4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]benzamide is COc1ccc(C(=O)N(CC(=O)NCC2CCN(C(C)C)CC2)c2ccccc2NC=O)cc1.
What is the InChIKey of N-(2-formamidophenyl)-4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]benzamide?
The InChIKey is ZCWBCMUQFHOHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-19(2)29-14-12-20(13-15-29)16-27-25(32)17-30(24-7-5-4-6-23(24)28-18-31)26(33)21-8-10-22(34-3)11-9-21/h4-11,18-20H,12-17H2,1-3H3,(H,27,32)(H,28,31).
What are the key properties of N-(2-formamidophenyl)-4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]benzamide?
N-(2-formamidophenyl)-4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]benzamide has a molecular weight of 466.58 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formamidophenyl)-4-methoxy-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]benzamide is sourced from PubChem (CID 87903290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).