N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

C24H34N4O4 — CID 98399429

IUPACN-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCCCCCCCNC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccc(OC)cc23)C1=O
InChIInChI=1S/C24H34N4O4/c1-3-4-5-6-7-13-25-22(29)11-10-21-23(30)28(24(31)27-21)14-12-17-16-26-20-9-8-18(32-2)15-19(17)20/h8-9,15-16,21,26H,3-7,10-14H2,1-2H3,(H,25,29)(H,27,31)/t21-/m1/s1
InChIKeyDDQJJZBLUMYJTN-OAQYLSRUSA-N
MW442.56 g/mol
LogP3.51
Rot. Bonds13

About N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 98399429) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID98399429
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC NameN-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCCCCCCCNC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccc(OC)cc23)C1=O
InChIInChI=1S/C24H34N4O4/c1-3-4-5-6-7-13-25-22(29)11-10-21-23(30)28(24(31)27-21)14-12-17-16-26-20-9-8-18(32-2)15-19(17)20/h8-9,15-16,21,26H,3-7,10-14H2,1-2H3,(H,25,29)(H,27,31)/t21-/m1/s1
InChIKeyDDQJJZBLUMYJTN-OAQYLSRUSA-N
XLogP3.51
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide
CID 51808572
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 75357106
3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide
CID 51842013
3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73257190
3-cyclopentyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 18947319
N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210460
2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 122169381
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 91638530
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 131889099
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75356728
N-[(2R)-butan-2-yl]-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 97489172

Frequently Asked Questions

What is the IUPAC name of N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide (CID 98399429) is N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide is CCCCCCCNC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccc(OC)cc23)C1=O.
What is the InChIKey of N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is DDQJJZBLUMYJTN-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-3-4-5-6-7-13-25-22(29)11-10-21-23(30)28(24(31)27-21)14-12-17-16-26-20-9-8-18(32-2)15-19(17)20/h8-9,15-16,21,26H,3-7,10-14H2,1-2H3,(H,25,29)(H,27,31)/t21-/m1/s1.
What are the key properties of N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 442.56 g/mol, XLogP of 3.51, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 98399429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).