4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide

C25H24N2O4 — CID 56545772

IUPAC4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)C2CC2)cc1
InChIInChI=1S/C25H24N2O4/c1-30-20-10-4-17(5-11-20)23(16-2-3-16)27-25(29)19-8-14-22(15-9-19)31-21-12-6-18(7-13-21)24(26)28/h4-16,23H,2-3H2,1H3,(H2,26,28)(H,27,29)
InChIKeyNDWNTJMJOXVIJO-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.47
Rot. Bonds8

About 4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide

4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide (PubChem CID 56545772) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide
PubChem CID56545772
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)C2CC2)cc1
InChIInChI=1S/C25H24N2O4/c1-30-20-10-4-17(5-11-20)23(16-2-3-16)27-25(29)19-8-14-22(15-9-19)31-21-12-6-18(7-13-21)24(26)28/h4-16,23H,2-3H2,1H3,(H2,26,28)(H,27,29)
InChIKeyNDWNTJMJOXVIJO-UHFFFAOYSA-N
XLogP4.47
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545703
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide
CID 46571976
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-morpholin-4-ylbenzamide
CID 92627391
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 47015352
N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 42925486
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 46580126
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55470366

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide (CID 56545772) is 4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide is COc1ccc(C(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)C2CC2)cc1.
What is the InChIKey of 4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide?
The InChIKey is NDWNTJMJOXVIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-30-20-10-4-17(5-11-20)23(16-2-3-16)27-25(29)19-8-14-22(15-9-19)31-21-12-6-18(7-13-21)24(26)28/h4-16,23H,2-3H2,1H3,(H2,26,28)(H,27,29).
What are the key properties of 4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide?
4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide has a molecular weight of 416.48 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).