N-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide

C23H29N3O3 — CID 55973351

IUPACN-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)Nc1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C23H29N3O3/c1-16(2)18-11-10-17(3)21(14-18)29-15-22(27)24-19-8-4-5-9-20(19)25-23(28)26-12-6-7-13-26/h4-5,8-11,14,16H,6-7,12-13,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyJIBSXZMXJZPKRX-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.76
Rot. Bonds6

About N-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide

N-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 55973351) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
PubChem CID55973351
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)Nc1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C23H29N3O3/c1-16(2)18-11-10-17(3)21(14-18)29-15-22(27)24-19-8-4-5-9-20(19)25-23(28)26-12-6-7-13-26/h4-5,8-11,14,16H,6-7,12-13,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyJIBSXZMXJZPKRX-UHFFFAOYSA-N
XLogP4.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 56527383
N-(2,5-dimethoxyphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 7962700
2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31348908
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 24535265
2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51203865
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 9319624
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 55534225
ethyl 4-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 7128264
N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 9260247
2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-methylpyrrol-2-yl)sulfonylacetamide
CID 167806974

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide (CID 55973351) is N-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide is Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccccc1NC(=O)N1CCCC1.
What is the InChIKey of N-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is JIBSXZMXJZPKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(2)18-11-10-17(3)21(14-18)29-15-22(27)24-19-8-4-5-9-20(19)25-23(28)26-12-6-7-13-26/h4-5,8-11,14,16H,6-7,12-13,15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide?
N-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 55973351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).