1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide

C26H28N2O4 — CID 2211003

IUPAC1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C26H28N2O4/c1-17(19-9-13-23(31-3)14-10-19)27-25(29)21-5-7-22(8-6-21)26(30)28-18(2)20-11-15-24(32-4)16-12-20/h5-18H,1-4H3,(H,27,29)(H,28,30)/t17-,18-/m0/s1
InChIKeyHGFREVUVPSABKU-ROUUACIJSA-N
MW432.52 g/mol
LogP4.69
Rot. Bonds8

About 1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide (PubChem CID 2211003) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
PubChem CID2211003
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C26H28N2O4/c1-17(19-9-13-23(31-3)14-10-19)27-25(29)21-5-7-22(8-6-21)26(30)28-18(2)20-11-15-24(32-4)16-12-20/h5-18H,1-4H3,(H,27,29)(H,28,30)/t17-,18-/m0/s1
InChIKeyHGFREVUVPSABKU-ROUUACIJSA-N
XLogP4.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558127
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 94027949
N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 53279777
N-[1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132672025
N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 43910482

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide (CID 2211003) is 1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide is COc1ccc([C@H](C)NC(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is HGFREVUVPSABKU-ROUUACIJSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-17(19-9-13-23(31-3)14-10-19)27-25(29)21-5-7-22(8-6-21)26(30)28-18(2)20-11-15-24(32-4)16-12-20/h5-18H,1-4H3,(H,27,29)(H,28,30)/t17-,18-/m0/s1.
What are the key properties of 1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 2211003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).