4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide

C25H24N2O3 — CID 86891469

IUPAC4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide
SMILESCc1cccc(CN(C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)C2CC2)c1
InChIInChI=1S/C25H24N2O3/c1-17-3-2-4-18(15-17)16-27(21-9-10-21)25(29)20-7-13-23(14-8-20)30-22-11-5-19(6-12-22)24(26)28/h2-8,11-15,21H,9-10,16H2,1H3,(H2,26,28)
InChIKeyZZFRXKKVGAFIBI-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.69
Rot. Bonds7

About 4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide

4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide (PubChem CID 86891469) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide
PubChem CID86891469
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide
SMILESCc1cccc(CN(C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)C2CC2)c1
InChIInChI=1S/C25H24N2O3/c1-17-3-2-4-18(15-17)16-27(21-9-10-21)25(29)20-7-13-23(14-8-20)30-22-11-5-19(6-12-22)24(26)28/h2-8,11-15,21H,9-10,16H2,1H3,(H2,26,28)
InChIKeyZZFRXKKVGAFIBI-UHFFFAOYSA-N
XLogP4.69
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545378
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
1-(aminomethyl)-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 115452811
N-cyclopropyl-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011279
4-N-cyclopropyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 47155368
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide
CID 38363519
N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
CID 26320335
1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 87038989
(E)-4-[cyclopropyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 39360084
5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide
CID 107909347
5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 79987448
1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea
CID 87009003

Frequently Asked Questions

What is the IUPAC name of 4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide (CID 86891469) is 4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide is Cc1cccc(CN(C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)C2CC2)c1.
What is the InChIKey of 4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide?
The InChIKey is ZZFRXKKVGAFIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-17-3-2-4-18(15-17)16-27(21-9-10-21)25(29)20-7-13-23(14-8-20)30-22-11-5-19(6-12-22)24(26)28/h2-8,11-15,21H,9-10,16H2,1H3,(H2,26,28).
What are the key properties of 4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide?
4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide has a molecular weight of 400.48 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 86891469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).