2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide

C17H20N4O3 — CID 2470027

IUPAC2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C17H20N4O3/c1-2-7-18-15(22)10-21-16(23)14(20-17(21)24)8-11-9-19-13-6-4-3-5-12(11)13/h3-6,9,14,19H,2,7-8,10H2,1H3,(H,18,22)(H,20,24)/t14-/m1/s1
InChIKeyMCHZNHHIIVRMTF-CQSZACIVSA-N
MW328.37 g/mol
LogP1.16
Rot. Bonds6

About 2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide

2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (PubChem CID 2470027) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
PubChem CID2470027
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C17H20N4O3/c1-2-7-18-15(22)10-21-16(23)14(20-17(21)24)8-11-9-19-13-6-4-3-5-12(11)13/h3-6,9,14,19H,2,7-8,10H2,1H3,(H,18,22)(H,20,24)/t14-/m1/s1
InChIKeyMCHZNHHIIVRMTF-CQSZACIVSA-N
XLogP1.16
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 3473430
N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46594413
N-cycloheptyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51556304
N-benzhydryl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 97081319
2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 51564726
N-(4-ethoxyphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7901676
N-(2,6-difluorophenyl)-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 9170327
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 3480729
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2653207
N,N-di(butan-2-yl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47009783
N-[(2R)-butan-2-yl]-N-[(2S)-butan-2-yl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51556366
N-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7640132

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (CID 2470027) is 2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O.
What is the InChIKey of 2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The InChIKey is MCHZNHHIIVRMTF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-2-7-18-15(22)10-21-16(23)14(20-17(21)24)8-11-9-19-13-6-4-3-5-12(11)13/h3-6,9,14,19H,2,7-8,10H2,1H3,(H,18,22)(H,20,24)/t14-/m1/s1.
What are the key properties of 2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide has a molecular weight of 328.37 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 2470027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).