N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide

C26H36N2O5 — CID 132718653

IUPACN-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CN(C(=O)CCc2ccc(OC)c(OC)c2)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C26H36N2O5/c1-18(25(30)27-26(2,3)4)28(17-20-8-12-21(31-5)13-9-20)24(29)15-11-19-10-14-22(32-6)23(16-19)33-7/h8-10,12-14,16,18H,11,15,17H2,1-7H3,(H,27,30)
InChIKeyPFUBIXVWCRTCFU-UHFFFAOYSA-N
MW456.58 g/mol
LogP3.98
Rot. Bonds10

About N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide

N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide (PubChem CID 132718653) has the molecular formula C26H36N2O5 and a molecular weight of 456.58 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide
PubChem CID132718653
Molecular FormulaC26H36N2O5
Molecular Weight456.58 g/mol
Exact Mass456.26
IUPAC NameN-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CN(C(=O)CCc2ccc(OC)c(OC)c2)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C26H36N2O5/c1-18(25(30)27-26(2,3)4)28(17-20-8-12-21(31-5)13-9-20)24(29)15-11-19-10-14-22(32-6)23(16-19)33-7/h8-10,12-14,16,18H,11,15,17H2,1-7H3,(H,27,30)
InChIKeyPFUBIXVWCRTCFU-UHFFFAOYSA-N
XLogP3.98
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132664530
2-[(3-bromophenyl)methyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-tert-butylpropanamide
CID 133146050
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213633
N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132707152
N-tert-butyl-2-[(3-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132704905
(2S)-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100521859
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]butanamide
CID 132734479
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 132719792
N-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132717324
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]butanamide
CID 132742830
N-tert-butyl-2-[3-(4-chlorophenyl)sulfanylpropanoyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132720364
(2S)-N-[(2S)-butan-2-yl]-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 100573954

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide (CID 132718653) is N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide is COc1ccc(CN(C(=O)CCc2ccc(OC)c(OC)c2)C(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide?
The InChIKey is PFUBIXVWCRTCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O5/c1-18(25(30)27-26(2,3)4)28(17-20-8-12-21(31-5)13-9-20)24(29)15-11-19-10-14-22(32-6)23(16-19)33-7/h8-10,12-14,16,18H,11,15,17H2,1-7H3,(H,27,30).
What are the key properties of N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide?
N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide has a molecular weight of 456.58 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132718653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).