N,N'-bis(4-propan-2-yloxyphenyl)butanediamide

C22H28N2O4 — CID 17340345

IUPACN,N'-bis(4-propan-2-yloxyphenyl)butanediamide
SMILESCC(C)Oc1ccc(NC(=O)CCC(=O)Nc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O4/c1-15(2)27-19-9-5-17(6-10-19)23-21(25)13-14-22(26)24-18-7-11-20(12-8-18)28-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyWVDOQKPMTINEDL-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.62
Rot. Bonds9

About N,N'-bis(4-propan-2-yloxyphenyl)butanediamide

N,N'-bis(4-propan-2-yloxyphenyl)butanediamide (PubChem CID 17340345) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N,N'-bis(4-propan-2-yloxyphenyl)butanediamide.

Molecular Properties

Compound NameN,N'-bis(4-propan-2-yloxyphenyl)butanediamide
PubChem CID17340345
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN,N'-bis(4-propan-2-yloxyphenyl)butanediamide
SMILESCC(C)Oc1ccc(NC(=O)CCC(=O)Nc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O4/c1-15(2)27-19-9-5-17(6-10-19)23-21(25)13-14-22(26)24-18-7-11-20(12-8-18)28-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyWVDOQKPMTINEDL-UHFFFAOYSA-N
XLogP4.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
4-chloro-N-(4-propan-2-yloxyphenyl)butanamide
CID 17161001
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide
CID 112516837
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109036370
3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113115249
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109017718
3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55796869
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 47415261

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-propan-2-yloxyphenyl)butanediamide?
The IUPAC name of N,N'-bis(4-propan-2-yloxyphenyl)butanediamide (CID 17340345) is N,N'-bis(4-propan-2-yloxyphenyl)butanediamide.
What is the SMILES notation for N,N'-bis(4-propan-2-yloxyphenyl)butanediamide?
The canonical SMILES for N,N'-bis(4-propan-2-yloxyphenyl)butanediamide is CC(C)Oc1ccc(NC(=O)CCC(=O)Nc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N,N'-bis(4-propan-2-yloxyphenyl)butanediamide?
The InChIKey is WVDOQKPMTINEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(2)27-19-9-5-17(6-10-19)23-21(25)13-14-22(26)24-18-7-11-20(12-8-18)28-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis(4-propan-2-yloxyphenyl)butanediamide?
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide has a molecular weight of 384.48 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-propan-2-yloxyphenyl)butanediamide is sourced from PubChem (CID 17340345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).