1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide

C44H54N4O4 — CID 67992289

IUPAC1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
SMILESCC(C)c1ccccc1NC(=O)CC(C(=O)Nc1ccccc1C(C)C)C(CC(=O)Nc1ccccc1C(C)C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C44H54N4O4/c1-27(2)31-17-9-13-21-37(31)45-41(49)25-35(43(51)47-39-23-15-11-19-33(39)29(5)6)36(44(52)48-40-24-16-12-20-34(40)30(7)8)26-42(50)46-38-22-14-10-18-32(38)28(3)4/h9-24,27-30,35-36H,25-26H2,1-8H3,(H,45,49)(H,46,50)(H,47,51)(H,48,52)
InChIKeyIOIGMVJTDTUDBQ-UHFFFAOYSA-N
MW702.94 g/mol
LogP10.05
Rot. Bonds15

About 1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide

1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide (PubChem CID 67992289) has the molecular formula C44H54N4O4 and a molecular weight of 702.94 g/mol. Its IUPAC name is 1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide.

Molecular Properties

Compound Name1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
PubChem CID67992289
Molecular FormulaC44H54N4O4
Molecular Weight702.94 g/mol
Exact Mass702.41
IUPAC Name1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
SMILESCC(C)c1ccccc1NC(=O)CC(C(=O)Nc1ccccc1C(C)C)C(CC(=O)Nc1ccccc1C(C)C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C44H54N4O4/c1-27(2)31-17-9-13-21-37(31)45-41(49)25-35(43(51)47-39-23-15-11-19-33(39)29(5)6)36(44(52)48-40-24-16-12-20-34(40)30(7)8)26-42(50)46-38-22-14-10-18-32(38)28(3)4/h9-24,27-30,35-36H,25-26H2,1-8H3,(H,45,49)(H,46,50)(H,47,51)(H,48,52)
InChIKeyIOIGMVJTDTUDBQ-UHFFFAOYSA-N
XLogP10.05
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.94
LogP ≤ 510.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide with MolForge

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Related Compounds

N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide
CID 81071847
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
CID 112517159
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713
(2S)-3-methyl-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 28508833
(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide
CID 26584984
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
5-chloro-N-(2-propan-2-ylphenyl)pentanamide
CID 28727835
1-N,2-N,3-N,4-N-tetrakis(2-butylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992243

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide?
The IUPAC name of 1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide (CID 67992289) is 1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide.
What is the SMILES notation for 1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide?
The canonical SMILES for 1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide is CC(C)c1ccccc1NC(=O)CC(C(=O)Nc1ccccc1C(C)C)C(CC(=O)Nc1ccccc1C(C)C)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide?
The InChIKey is IOIGMVJTDTUDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H54N4O4/c1-27(2)31-17-9-13-21-37(31)45-41(49)25-35(43(51)47-39-23-15-11-19-33(39)29(5)6)36(44(52)48-40-24-16-12-20-34(40)30(7)8)26-42(50)46-38-22-14-10-18-32(38)28(3)4/h9-24,27-30,35-36H,25-26H2,1-8H3,(H,45,49)(H,46,50)(H,47,51)(H,48,52).
What are the key properties of 1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide?
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide has a molecular weight of 702.94 g/mol, XLogP of 10.05, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide is sourced from PubChem (CID 67992289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).