1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea

C18H19N3O — CID 155432644

IUPAC1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
SMILESCC[C@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-2-16(13-6-4-3-5-7-13)21-18(22)20-15-8-9-17-14(12-15)10-11-19-17/h3-12,16,19H,2H2,1H3,(H2,20,21,22)/t16-/m0/s1
InChIKeyLKFLBTBOJAQTBE-INIZCTEOSA-N
MW293.37 g/mol
LogP4.44
Rot. Bonds4

About 1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea

1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea (PubChem CID 155432644) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea.

Molecular Properties

Compound Name1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
PubChem CID155432644
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
SMILESCC[C@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-2-16(13-6-4-3-5-7-13)21-18(22)20-15-8-9-17-14(12-15)10-11-19-17/h3-12,16,19H,2H2,1H3,(H2,20,21,22)/t16-/m0/s1
InChIKeyLKFLBTBOJAQTBE-INIZCTEOSA-N
XLogP4.44
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
1-(4-bromophenyl)-3-(1-phenylpropyl)urea
CID 3395265
1-(3-aminophenyl)-3-(1-phenylpropyl)urea
CID 62304555
(2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide
CID 61250453
ethyl (2R,3S)-3-(1H-indol-5-ylcarbamoylamino)-2-methylbutanoate
CID 124625330
1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea
CID 62306433
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
1-(1H-indol-5-yl)-3-(2-phenylethyl)urea
CID 155412352
1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-5-yl)urea
CID 95312253
N-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine
CID 102910676
(2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride
CID 119278221
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea?
The IUPAC name of 1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea (CID 155432644) is 1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea.
What is the SMILES notation for 1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea?
The canonical SMILES for 1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea is CC[C@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1.
What is the InChIKey of 1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea?
The InChIKey is LKFLBTBOJAQTBE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-16(13-6-4-3-5-7-13)21-18(22)20-15-8-9-17-14(12-15)10-11-19-17/h3-12,16,19H,2H2,1H3,(H2,20,21,22)/t16-/m0/s1.
What are the key properties of 1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea?
1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea has a molecular weight of 293.37 g/mol, XLogP of 4.44, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea is sourced from PubChem (CID 155432644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).