2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide

C23H29ClN2O3 — CID 132708443

IUPAC2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1Cl
InChIInChI=1S/C23H29ClN2O3/c1-4-20(23(28)25-17(2)3)26(15-14-18-10-6-5-7-11-18)22(27)16-29-21-13-9-8-12-19(21)24/h5-13,17,20H,4,14-16H2,1-3H3,(H,25,28)
InChIKeyFJYGXNBHWVCUPY-UHFFFAOYSA-N
MW416.95 g/mol
LogP4.09
Rot. Bonds10

About 2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide

2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide (PubChem CID 132708443) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
PubChem CID132708443
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Name2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1Cl
InChIInChI=1S/C23H29ClN2O3/c1-4-20(23(28)25-17(2)3)26(15-14-18-10-6-5-7-11-18)22(27)16-29-21-13-9-8-12-19(21)24/h5-13,17,20H,4,14-16H2,1-3H3,(H,25,28)
InChIKeyFJYGXNBHWVCUPY-UHFFFAOYSA-N
XLogP4.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 132709843
2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
CID 132706923
(2S)-2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100645001
(2S)-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100626355
2-[[2-(4-bromo-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
CID 132723773
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 132679381
N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132713657
(2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 100515257
2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 132667474
N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide
CID 132707913
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 100625235
2-[[2-(2-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133262421

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide?
The IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide (CID 132708443) is 2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide is CCC(C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide?
The InChIKey is FJYGXNBHWVCUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c1-4-20(23(28)25-17(2)3)26(15-14-18-10-6-5-7-11-18)22(27)16-29-21-13-9-8-12-19(21)24/h5-13,17,20H,4,14-16H2,1-3H3,(H,25,28).
What are the key properties of 2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide?
2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide has a molecular weight of 416.95 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 132708443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).