5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide

C27H46N2O5 — CID 177144711

IUPAC5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide
SMILESCC(C)C(=O)C(C)(C)CCOC(C)(C)CCNC(=O)C(C)(C)CC(C)(C)CN1C(=O)C=CC1=O
InChIInChI=1S/C27H46N2O5/c1-19(2)22(32)25(5,6)14-16-34-27(9,10)13-15-28-23(33)26(7,8)17-24(3,4)18-29-20(30)11-12-21(29)31/h11-12,19H,13-18H2,1-10H3,(H,28,33)
InChIKeyFQRBDERKAZWENC-UHFFFAOYSA-N
MW478.67 g/mol
LogP4.30
Rot. Bonds14

About 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide

5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide (PubChem CID 177144711) has the molecular formula C27H46N2O5 and a molecular weight of 478.67 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide.

Molecular Properties

Compound Name5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide
PubChem CID177144711
Molecular FormulaC27H46N2O5
Molecular Weight478.67 g/mol
Exact Mass478.34
IUPAC Name5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide
SMILESCC(C)C(=O)C(C)(C)CCOC(C)(C)CCNC(=O)C(C)(C)CC(C)(C)CN1C(=O)C=CC1=O
InChIInChI=1S/C27H46N2O5/c1-19(2)22(32)25(5,6)14-16-34-27(9,10)13-15-28-23(33)26(7,8)17-24(3,4)18-29-20(30)11-12-21(29)31/h11-12,19H,13-18H2,1-10H3,(H,28,33)
InChIKeyFQRBDERKAZWENC-UHFFFAOYSA-N
XLogP4.30
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.67
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide
CID 167062986
2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid
CID 134502976
1-(2,2,4,4-tetramethylpentyl)pyrrole-2,5-dione
CID 123912604
1-[4-(3,4-dimethylpentan-2-yl)phenyl]-3-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]thiourea
CID 170190123
N-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide
CID 176989879
N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide
CID 177062288
3-(2,5-dioxopyrrol-1-yl)-N-[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]propanamide
CID 123808310
N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide
CID 129027495
N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide
CID 134174558
2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane
CID 162756506
CID 171851641
CID 171851641
2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid
CID 123714443

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide?
The IUPAC name of 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide (CID 177144711) is 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide.
What is the SMILES notation for 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide?
The canonical SMILES for 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide is CC(C)C(=O)C(C)(C)CCOC(C)(C)CCNC(=O)C(C)(C)CC(C)(C)CN1C(=O)C=CC1=O.
What is the InChIKey of 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide?
The InChIKey is FQRBDERKAZWENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N2O5/c1-19(2)22(32)25(5,6)14-16-34-27(9,10)13-15-28-23(33)26(7,8)17-24(3,4)18-29-20(30)11-12-21(29)31/h11-12,19H,13-18H2,1-10H3,(H,28,33).
What are the key properties of 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide?
5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide has a molecular weight of 478.67 g/mol, XLogP of 4.30, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide is sourced from PubChem (CID 177144711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).