1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea

C24H30N4O — CID 154834077

IUPAC1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea
SMILESO=C(NCCCN1CCCC1)NCC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H30N4O/c29-24(25-13-8-16-28-14-6-7-15-28)27-17-21(19-9-2-1-3-10-19)22-18-26-23-12-5-4-11-20(22)23/h1-5,9-12,18,21,26H,6-8,13-17H2,(H2,25,27,29)
InChIKeyNTNBHZDFEKZZGW-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.08
Rot. Bonds8

About 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea

1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea (PubChem CID 154834077) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea
PubChem CID154834077
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea
SMILESO=C(NCCCN1CCCC1)NCC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H30N4O/c29-24(25-13-8-16-28-14-6-7-15-28)27-17-21(19-9-2-1-3-10-19)22-18-26-23-12-5-4-11-20(22)23/h1-5,9-12,18,21,26H,6-8,13-17H2,(H2,25,27,29)
InChIKeyNTNBHZDFEKZZGW-UHFFFAOYSA-N
XLogP4.08
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea
CID 50801399
1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 50801431
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918683
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42778001
(2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 98686003
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42802261
1-butyl-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]thiourea
CID 2108617
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide
CID 46471647
(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone
CID 158771523

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea?
The IUPAC name of 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea (CID 154834077) is 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea is O=C(NCCCN1CCCC1)NCC(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea?
The InChIKey is NTNBHZDFEKZZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c29-24(25-13-8-16-28-14-6-7-15-28)27-17-21(19-9-2-1-3-10-19)22-18-26-23-12-5-4-11-20(22)23/h1-5,9-12,18,21,26H,6-8,13-17H2,(H2,25,27,29).
What are the key properties of 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea?
1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea has a molecular weight of 390.53 g/mol, XLogP of 4.08, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-pyrrolidin-1-ylpropyl)urea is sourced from PubChem (CID 154834077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).