4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide

C28H30N2O3 — CID 2984168

IUPAC4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C28H30N2O3/c1-20(2)18-33-25-14-10-22(11-15-25)27(32)30-24-12-8-21(9-13-24)26(31)29-19-28(16-17-28)23-6-4-3-5-7-23/h3-15,20H,16-19H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyPBYSARALJYMGME-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.44
Rot. Bonds9

About 4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide

4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide (PubChem CID 2984168) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide
PubChem CID2984168
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C28H30N2O3/c1-20(2)18-33-25-14-10-22(11-15-25)27(32)30-24-12-8-21(9-13-24)26(31)29-19-28(16-17-28)23-6-4-3-5-7-23/h3-15,20H,16-19H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyPBYSARALJYMGME-UHFFFAOYSA-N
XLogP5.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 1120192
N-ethyl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17234354
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2994766
3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide
CID 2960603
N-[(4-benzamidophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17235735
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
N-[(4-anilinophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937330
4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17141312
N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17201290
N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17202512

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide?
The IUPAC name of 4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide (CID 2984168) is 4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide?
The canonical SMILES for 4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide is CC(C)COc1ccc(C(=O)Nc2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide?
The InChIKey is PBYSARALJYMGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-20(2)18-33-25-14-10-22(11-15-25)27(32)30-24-12-8-21(9-13-24)26(31)29-19-28(16-17-28)23-6-4-3-5-7-23/h3-15,20H,16-19H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide?
4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide has a molecular weight of 442.56 g/mol, XLogP of 5.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 2984168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).