N-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide

C24H32N2O3 — CID 132704905

IUPACN-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
SMILESCOc1cccc(CN(C(=O)CCc2ccccc2)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C24H32N2O3/c1-18(23(28)25-24(2,3)4)26(17-20-12-9-13-21(16-20)29-5)22(27)15-14-19-10-7-6-8-11-19/h6-13,16,18H,14-15,17H2,1-5H3,(H,25,28)
InChIKeyYPOUNHXROJMCAE-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.96
Rot. Bonds8

About N-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide

N-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide (PubChem CID 132704905) 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-(3-phenylpropanoyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
PubChem CID132704905
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
SMILESCOc1cccc(CN(C(=O)CCc2ccccc2)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C24H32N2O3/c1-18(23(28)25-24(2,3)4)26(17-20-12-9-13-21(16-20)29-5)22(27)15-14-19-10-7-6-8-11-19/h6-13,16,18H,14-15,17H2,1-5H3,(H,25,28)
InChIKeyYPOUNHXROJMCAE-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-(2-chlorophenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132711801
N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-4-(N-methylsulfonylanilino)butanamide
CID 125055382
2-[(2-benzylsulfanylacetyl)-[(3-methoxyphenyl)methyl]amino]-N-tert-butylpropanamide
CID 132711031
(2S)-2-[3-(4-tert-butylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100713930
N-tert-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132707157
(2R)-2-[3-(4-tert-butylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100520666
N-tert-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132708561
2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 132660550
2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide
CID 132706628
2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-propan-2-ylbutanamide
CID 132704807
N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(3-methoxy-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]butanamide
CID 125057822
(2R)-2-[[2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetyl]-[(3-methoxyphenyl)methyl]amino]-N-tert-butylpropanamide
CID 125061494

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide (CID 132704905) is N-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide is COc1cccc(CN(C(=O)CCc2ccccc2)C(C)C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide?
The InChIKey is YPOUNHXROJMCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-18(23(28)25-24(2,3)4)26(17-20-12-9-13-21(16-20)29-5)22(27)15-14-19-10-7-6-8-11-19/h6-13,16,18H,14-15,17H2,1-5H3,(H,25,28).
What are the key properties of N-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide?
N-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide 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-(3-phenylpropanoyl)amino]propanamide is sourced from PubChem (CID 132704905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).