4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide

C25H28N4O4 — CID 56509969

IUPAC4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C25H28N4O4/c30-22(14-7-15-26-25(33)28-17-8-2-1-3-9-17)27-18-10-6-11-19(16-18)29-23(31)20-12-4-5-13-21(20)24(29)32/h4-6,10-13,16-17H,1-3,7-9,14-15H2,(H,27,30)(H2,26,28,33)
InChIKeyMTJRRSHYXSWOLC-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.84
Rot. Bonds7

About 4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide

4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide (PubChem CID 56509969) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide
PubChem CID56509969
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C25H28N4O4/c30-22(14-7-15-26-25(33)28-17-8-2-1-3-9-17)27-18-10-6-11-19(16-18)29-23(31)20-12-4-5-13-21(20)24(29)32/h4-6,10-13,16-17H,1-3,7-9,14-15H2,(H,27,30)(H2,26,28,33)
InChIKeyMTJRRSHYXSWOLC-UHFFFAOYSA-N
XLogP3.84
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56508213
3-[6-(cyclohexylcarbamoylamino)hexanoylamino]benzoic acid
CID 119219607
4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
CID 16614836
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228
1-cyclohexyl-3-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]urea
CID 110352303
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 86921824
4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide
CID 18146705
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide
CID 56557543
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide
CID 110362135
N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 60515741
4-(cyclohexylcarbamoylamino)-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide
CID 55652195

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide (CID 56509969) is 4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide is O=C(CCCNC(=O)NC1CCCCC1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide?
The InChIKey is MTJRRSHYXSWOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c30-22(14-7-15-26-25(33)28-17-8-2-1-3-9-17)27-18-10-6-11-19(16-18)29-23(31)20-12-4-5-13-21(20)24(29)32/h4-6,10-13,16-17H,1-3,7-9,14-15H2,(H,27,30)(H2,26,28,33).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide?
4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide has a molecular weight of 448.52 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]butanamide is sourced from PubChem (CID 56509969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).