N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide

C21H26N2O3 — CID 17202439

IUPACN-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-5-20(24)22-17-8-10-18(11-9-17)23-21(25)14-26-19-12-6-16(7-13-19)15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBMIBBSPPJUDCSI-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.57
Rot. Bonds8

About N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide

N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide (PubChem CID 17202439) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide
PubChem CID17202439
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-5-20(24)22-17-8-10-18(11-9-17)23-21(25)14-26-19-12-6-16(7-13-19)15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBMIBBSPPJUDCSI-UHFFFAOYSA-N
XLogP4.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4949733
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450
N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26157459
2-(3,5-dimethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7707185
3-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 19225956
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 4238815
N-(4-butoxyphenyl)butanamide
CID 4939679
N-(6-amino-3-pyridinyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 119516013

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide (CID 17202439) is N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide?
The InChIKey is BMIBBSPPJUDCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-5-20(24)22-17-8-10-18(11-9-17)23-21(25)14-26-19-12-6-16(7-13-19)15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide?
N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide has a molecular weight of 354.45 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 17202439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).