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

C23H28Cl2N2O2 — CID 133145508

IUPACN-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C23H28Cl2N2O2/c1-16(22(29)26-23(2,3)4)27(15-17-8-7-10-19(24)14-17)21(28)13-12-18-9-5-6-11-20(18)25/h5-11,14,16H,12-13,15H2,1-4H3,(H,26,29)
InChIKeyUNXBMVNCTQMQJS-UHFFFAOYSA-N
MW435.40 g/mol
LogP5.26
Rot. Bonds7

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

N-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide (PubChem CID 133145508) has the molecular formula C23H28Cl2N2O2 and a molecular weight of 435.40 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide
PubChem CID133145508
Molecular FormulaC23H28Cl2N2O2
Molecular Weight435.40 g/mol
Exact Mass434.15
IUPAC NameN-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C23H28Cl2N2O2/c1-16(22(29)26-23(2,3)4)27(15-17-8-7-10-19(24)14-17)21(28)13-12-18-9-5-6-11-20(18)25/h5-11,14,16H,12-13,15H2,1-4H3,(H,26,29)
InChIKeyUNXBMVNCTQMQJS-UHFFFAOYSA-N
XLogP5.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.40
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[3-(2-chlorophenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132711801
N-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-3-phenylpropanamide
CID 133148369
N-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide
CID 133192663
2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-cyclohexylpropanamide
CID 133174632
N-tert-butyl-2-[(3-chlorophenyl)methyl-propanoylamino]propanamide
CID 133260357
2-[3-benzylsulfanylpropanoyl-[(3-chlorophenyl)methyl]amino]-N-tert-butylpropanamide
CID 133227660
N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132717149
2-[(2-benzylsulfanylacetyl)-[(3-chlorophenyl)methyl]amino]-N-tert-butylpropanamide
CID 133227344
N-tert-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132708561
N-tert-butyl-2-[(3-chlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]propanamide
CID 133227452
2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 132761704
2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide
CID 133259564

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide (CID 133145508) is N-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide is CC(C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl.
What is the InChIKey of N-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide?
The InChIKey is UNXBMVNCTQMQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O2/c1-16(22(29)26-23(2,3)4)27(15-17-8-7-10-19(24)14-17)21(28)13-12-18-9-5-6-11-20(18)25/h5-11,14,16H,12-13,15H2,1-4H3,(H,26,29).
What are the key properties of N-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide?
N-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide has a molecular weight of 435.40 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide is sourced from PubChem (CID 133145508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).