N-cyclohexyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-(2-phenylethyl)amino]butanamide

C30H37N3O4 — CID 132619852

IUPACN-cyclohexyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-(2-phenylethyl)amino]butanamide
SMILESCCC(C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C30H37N3O4/c1-2-26(28(35)31-23-14-7-4-8-15-23)32(21-19-22-12-5-3-6-13-22)27(34)18-11-20-33-29(36)24-16-9-10-17-25(24)30(33)37/h3,5-6,9-10,12-13,16-17,23,26H,2,4,7-8,11,14-15,18-21H2,1H3,(H,31,35)
InChIKeyFOKOGEIRXRTQAU-UHFFFAOYSA-N
MW503.64 g/mol
LogP4.36
Rot. Bonds11

About N-cyclohexyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-(2-phenylethyl)amino]butanamide

N-cyclohexyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-(2-phenylethyl)amino]butanamide (PubChem CID 132619852) has the molecular formula C30H37N3O4 and a molecular weight of 503.64 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-(2-phenylethyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-(2-phenylethyl)amino]butanamide
PubChem CID132619852
Molecular FormulaC30H37N3O4
Molecular Weight503.64 g/mol
Exact Mass503.28
IUPAC NameN-cyclohexyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-(2-phenylethyl)amino]butanamide
SMILESCCC(C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C30H37N3O4/c1-2-26(28(35)31-23-14-7-4-8-15-23)32(21-19-22-12-5-3-6-13-22)27(34)18-11-20-33-29(36)24-16-9-10-17-25(24)30(33)37/h3,5-6,9-10,12-13,16-17,23,26H,2,4,7-8,11,14-15,18-21H2,1H3,(H,31,35)
InChIKeyFOKOGEIRXRTQAU-UHFFFAOYSA-N
XLogP4.36
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.64
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)butanamide
CID 132616176
(2S)-N-cyclohexyl-2-[2-phenylethyl-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoyl]amino]butanamide
CID 100607569
N-benzyl-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 132616180
N-cyclohexyl-2-[2-phenylethyl-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoyl]amino]butanamide
CID 132622913
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)-N-(2-phenylethyl)butanamide
CID 132619009
(2R)-N-cyclohexyl-2-[4-(4-methylphenoxy)butanoyl-(2-phenylethyl)amino]butanamide
CID 100606400
(2R)-N-cyclohexyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 100601484
2-[benzyl-[4-(2-oxobenzo[cd]indol-1-yl)butanoyl]amino]-N-cyclopentylbutanamide
CID 132619008
(2R)-N-cyclohexyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]butanamide
CID 100607646
(2R)-2-[4-[benzenesulfonyl(methyl)amino]butanoyl-(2-phenylethyl)amino]-N-cyclohexylbutanamide
CID 100607848
N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide
CID 132615507
N-cyclopentyl-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]butanamide
CID 132611624

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-(2-phenylethyl)amino]butanamide?
The IUPAC name of N-cyclohexyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-(2-phenylethyl)amino]butanamide (CID 132619852) is N-cyclohexyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-(2-phenylethyl)amino]butanamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-(2-phenylethyl)amino]butanamide?
The canonical SMILES for N-cyclohexyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-(2-phenylethyl)amino]butanamide is CCC(C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-cyclohexyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-(2-phenylethyl)amino]butanamide?
The InChIKey is FOKOGEIRXRTQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O4/c1-2-26(28(35)31-23-14-7-4-8-15-23)32(21-19-22-12-5-3-6-13-22)27(34)18-11-20-33-29(36)24-16-9-10-17-25(24)30(33)37/h3,5-6,9-10,12-13,16-17,23,26H,2,4,7-8,11,14-15,18-21H2,1H3,(H,31,35).
What are the key properties of N-cyclohexyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-(2-phenylethyl)amino]butanamide?
N-cyclohexyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-(2-phenylethyl)amino]butanamide has a molecular weight of 503.64 g/mol, XLogP of 4.36, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(1,3-dioxoisoindol-2-yl)butanoyl-(2-phenylethyl)amino]butanamide is sourced from PubChem (CID 132619852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).