N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide

C23H28N2O3 — CID 46761316

IUPACN-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)C2CC2)cccc1NC(=O)C(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C23H28N2O3/c1-14(2)17-10-12-19(13-11-17)28-16(4)22(26)24-20-6-5-7-21(15(20)3)25-23(27)18-8-9-18/h5-7,10-14,16,18H,8-9H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyQWWSAMKSZBLILL-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.87
Rot. Bonds7

About N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide

N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide (PubChem CID 46761316) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide
PubChem CID46761316
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)C2CC2)cccc1NC(=O)C(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C23H28N2O3/c1-14(2)17-10-12-19(13-11-17)28-16(4)22(26)24-20-6-5-7-21(15(20)3)25-23(27)18-8-9-18/h5-7,10-14,16,18H,8-9H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyQWWSAMKSZBLILL-UHFFFAOYSA-N
XLogP4.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-(propanoylamino)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 46760598
N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761291
N-[2-methyl-3-[2-(4-methylphenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
CID 46761280
N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953593
N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclopropanecarboxamide
CID 108541568
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760564
N-[4-[[[(2R)-2-(4-propan-2-ylphenoxy)propanoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 9241022
2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53266331
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567
N-methyl-2-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17354040
(2R)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733032

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide (CID 46761316) is N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide is Cc1c(NC(=O)C2CC2)cccc1NC(=O)C(C)Oc1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is QWWSAMKSZBLILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-14(2)17-10-12-19(13-11-17)28-16(4)22(26)24-20-6-5-7-21(15(20)3)25-23(27)18-8-9-18/h5-7,10-14,16,18H,8-9H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide?
N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46761316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).