N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide

C23H29ClN2O3 — CID 132708570

IUPACN-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
SMILESCc1cccc(OCC(=O)N(Cc2ccccc2Cl)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C23H29ClN2O3/c1-16-9-8-11-19(13-16)29-15-21(27)26(14-18-10-6-7-12-20(18)24)17(2)22(28)25-23(3,4)5/h6-13,17H,14-15H2,1-5H3,(H,25,28)
InChIKeyCMHCXYSOPFXNIR-UHFFFAOYSA-N
MW416.95 g/mol
LogP4.36
Rot. Bonds7

About N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide

N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide (PubChem CID 132708570) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
PubChem CID132708570
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC NameN-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
SMILESCc1cccc(OCC(=O)N(Cc2ccccc2Cl)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C23H29ClN2O3/c1-16-9-8-11-19(13-16)29-15-21(27)26(14-18-10-6-7-12-20(18)24)17(2)22(28)25-23(3,4)5/h6-13,17H,14-15H2,1-5H3,(H,25,28)
InChIKeyCMHCXYSOPFXNIR-UHFFFAOYSA-N
XLogP4.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide
CID 132711807
N-butan-2-yl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
CID 132708514
(2R)-N-[(2R)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
CID 100557876
N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]propanamide
CID 132709165
2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132671241
2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132711673
(2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100710877
N-tert-butyl-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132708564
N-tert-butyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 133259636
N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 133147973
(2S)-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 100555429
N-tert-butyl-2-[(2-chlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 132708573

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide (CID 132708570) is N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide is Cc1cccc(OCC(=O)N(Cc2ccccc2Cl)C(C)C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide?
The InChIKey is CMHCXYSOPFXNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c1-16-9-8-11-19(13-16)29-15-21(27)26(14-18-10-6-7-12-20(18)24)17(2)22(28)25-23(3,4)5/h6-13,17H,14-15H2,1-5H3,(H,25,28).
What are the key properties of N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide?
N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide has a molecular weight of 416.95 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 132708570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).