1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea

C19H21N3O — CID 118398454

IUPAC1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C19H21N3O/c23-19(21-11-4-7-15-5-2-1-3-6-15)22-14-16-8-9-18-17(13-16)10-12-20-18/h1-3,5-6,8-10,12-13,20H,4,7,11,14H2,(H2,21,22,23)
InChIKeySYJMPFZTEJDSMA-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.60
Rot. Bonds6

About 1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea

1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea (PubChem CID 118398454) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea
PubChem CID118398454
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C19H21N3O/c23-19(21-11-4-7-15-5-2-1-3-6-15)22-14-16-8-9-18-17(13-16)10-12-20-18/h1-3,5-6,8-10,12-13,20H,4,7,11,14H2,(H2,21,22,23)
InChIKeySYJMPFZTEJDSMA-UHFFFAOYSA-N
XLogP3.60
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indol-5-ylmethyl)-3-(2-phenylethyl)thiourea
CID 59088051
1-(1H-indol-5-yl)-3-(2-phenylethyl)urea
CID 155412352
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide
CID 138674551
3-(5-phenylpentylcarbamoylamino)propanoic acid
CID 122000469
1-benzyl-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 107653232
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610
N-(1H-indol-5-ylmethyl)-3-tritylsulfanylpropanamide
CID 24860948
1-(1H-indol-5-ylmethyl)-3-(2-phenylethenyl)thiourea
CID 174457865
1-[2-[bis[2-(3-phenylpropylcarbamoylamino)ethyl]amino]ethyl]-3-(3-phenylpropyl)urea
CID 101049094
1-benzyl-3-(5-hydroxypentyl)urea
CID 108871315
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(1H-indol-2-ylmethyl)urea
CID 86870820

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea (CID 118398454) is 1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)NCc1ccc2[nH]ccc2c1.
What is the InChIKey of 1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea?
The InChIKey is SYJMPFZTEJDSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-19(21-11-4-7-15-5-2-1-3-6-15)22-14-16-8-9-18-17(13-16)10-12-20-18/h1-3,5-6,8-10,12-13,20H,4,7,11,14H2,(H2,21,22,23).
What are the key properties of 1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea?
1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea has a molecular weight of 307.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea is sourced from PubChem (CID 118398454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).