N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide

C26H28N2O4 — CID 24649004

IUPACN-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide
SMILESCOc1ccc(C(NC(=O)CNC(=O)c2ccc(OC(C)C)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O4/c1-18(2)32-23-15-11-21(12-16-23)26(30)27-17-24(29)28-25(19-7-5-4-6-8-19)20-9-13-22(31-3)14-10-20/h4-16,18,25H,17H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyBUODDLOBHSICLB-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.12
Rot. Bonds9

About N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide

N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide (PubChem CID 24649004) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide
PubChem CID24649004
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC NameN-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide
SMILESCOc1ccc(C(NC(=O)CNC(=O)c2ccc(OC(C)C)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O4/c1-18(2)32-23-15-11-21(12-16-23)26(30)27-17-24(29)28-25(19-7-5-4-6-8-19)20-9-13-22(31-3)14-10-20/h4-16,18,25H,17H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyBUODDLOBHSICLB-UHFFFAOYSA-N
XLogP4.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24649003
3-bromo-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 17435888
3-bromo-N-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 40789490
N-[2-oxo-2-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]ethyl]benzamide
CID 43002548
2-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 24648997
4-bromo-N-[3-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]benzamide
CID 40790967
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509
4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide
CID 55840868
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide
CID 17483571
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide (CID 24649004) is N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide is COc1ccc(C(NC(=O)CNC(=O)c2ccc(OC(C)C)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide?
The InChIKey is BUODDLOBHSICLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-18(2)32-23-15-11-21(12-16-23)26(30)27-17-24(29)28-25(19-7-5-4-6-8-19)20-9-13-22(31-3)14-10-20/h4-16,18,25H,17H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide?
N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide has a molecular weight of 432.52 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 24649004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).