N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]-3-phenylpropanamide

C24H32N2O3 — CID 133198206

IUPACN-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]-3-phenylpropanamide
SMILESCCC(=O)N(Cc1cccc(OC)c1)C(Cc1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C24H32N2O3/c1-6-22(27)26(17-19-13-10-14-20(15-19)29-5)21(23(28)25-24(2,3)4)16-18-11-8-7-9-12-18/h7-15,21H,6,16-17H2,1-5H3,(H,25,28)
InChIKeyPVKUANZBLJOMRG-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.96
Rot. Bonds8

About N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]-3-phenylpropanamide

N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]-3-phenylpropanamide (PubChem CID 133198206) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]-3-phenylpropanamide
PubChem CID133198206
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]-3-phenylpropanamide
SMILESCCC(=O)N(Cc1cccc(OC)c1)C(Cc1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C24H32N2O3/c1-6-22(27)26(17-19-13-10-14-20(15-19)29-5)21(23(28)25-24(2,3)4)16-18-11-8-7-9-12-18/h7-15,21H,6,16-17H2,1-5H3,(H,25,28)
InChIKeyPVKUANZBLJOMRG-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide
CID 132760854
N-tert-butyl-2-[[2-(2-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133198209
N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133198117
N-tert-butyl-2-[[2-(3,4-dimethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133198104
N-tert-butyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133198204
2-[[2-(4-bromo-3,5-dimethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-tert-butyl-3-phenylpropanamide
CID 133198120
(2R)-N-tert-butyl-2-[[2-(2,6-dimethyl-N-methylsulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 125096252
2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenyl-N-propylpropanamide
CID 133200886
(2R)-N-tert-butyl-2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 125094366
(2R)-N-tert-butyl-2-[[2-(3,5-dichloro-N-methylsulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 125090641
N-tert-butyl-2-[(3-methoxyphenyl)methyl-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]-3-phenylpropanamide
CID 133198148
N-tert-butyl-2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanamide
CID 133148348

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]-3-phenylpropanamide?
The IUPAC name of N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]-3-phenylpropanamide (CID 133198206) is N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]-3-phenylpropanamide.
What is the SMILES notation for N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]-3-phenylpropanamide?
The canonical SMILES for N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]-3-phenylpropanamide is CCC(=O)N(Cc1cccc(OC)c1)C(Cc1ccccc1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]-3-phenylpropanamide?
The InChIKey is PVKUANZBLJOMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-6-22(27)26(17-19-13-10-14-20(15-19)29-5)21(23(28)25-24(2,3)4)16-18-11-8-7-9-12-18/h7-15,21H,6,16-17H2,1-5H3,(H,25,28).
What are the key properties of N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]-3-phenylpropanamide?
N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]-3-phenylpropanamide has a molecular weight of 396.53 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]-3-phenylpropanamide is sourced from PubChem (CID 133198206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).