N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide

C27H30N2O3 — CID 3886126

IUPACN'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide
SMILESCC(CCc1ccccc1)NC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H30N2O3/c1-21(12-13-22-8-4-2-5-9-22)28-26(30)18-19-27(31)29-24-14-16-25(17-15-24)32-20-23-10-6-3-7-11-23/h2-11,14-17,21H,12-13,18-20H2,1H3,(H,28,30)(H,29,31)
InChIKeyKAZCZINTYFPOIZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.12
Rot. Bonds11

About N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide

N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide (PubChem CID 3886126) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide
PubChem CID3886126
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide
SMILESCC(CCc1ccccc1)NC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H30N2O3/c1-21(12-13-22-8-4-2-5-9-22)28-26(30)18-19-27(31)29-24-14-16-25(17-15-24)32-20-23-10-6-3-7-11-23/h2-11,14-17,21H,12-13,18-20H2,1H3,(H,28,30)(H,29,31)
InChIKeyKAZCZINTYFPOIZ-UHFFFAOYSA-N
XLogP5.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7316761
N-(4-chlorophenyl)-N'-[(2R)-4-phenylbutan-2-yl]butanediamide
CID 7316762
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-3-phenylpropanamide
CID 113000439
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 143395384
methyl (2S)-2-[[5-oxo-5-(4-phenylmethoxyanilino)pentanoyl]amino]-3-phenylpropanoate
CID 41263642
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
CID 42149432

Frequently Asked Questions

What is the IUPAC name of N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide?
The IUPAC name of N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide (CID 3886126) is N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide.
What is the SMILES notation for N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide?
The canonical SMILES for N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide is CC(CCc1ccccc1)NC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide?
The InChIKey is KAZCZINTYFPOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-21(12-13-22-8-4-2-5-9-22)28-26(30)18-19-27(31)29-24-14-16-25(17-15-24)32-20-23-10-6-3-7-11-23/h2-11,14-17,21H,12-13,18-20H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide?
N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide has a molecular weight of 430.55 g/mol, XLogP of 5.12, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide is sourced from PubChem (CID 3886126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).