1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea

C16H24N4O — CID 7615961

IUPAC1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea
SMILESCCN(CC)CCCNC(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N4O/c1-3-20(4-2)11-7-10-17-16(21)19-15-12-18-14-9-6-5-8-13(14)15/h5-6,8-9,12,18H,3-4,7,10-11H2,1-2H3,(H2,17,19,21)
InChIKeyXNOKZYDJLSXNJZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.02
Rot. Bonds7

About 1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea

1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea (PubChem CID 7615961) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea
PubChem CID7615961
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea
SMILESCCN(CC)CCCNC(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N4O/c1-3-20(4-2)11-7-10-17-16(21)19-15-12-18-14-9-6-5-8-13(14)15/h5-6,8-9,12,18H,3-4,7,10-11H2,1-2H3,(H2,17,19,21)
InChIKeyXNOKZYDJLSXNJZ-UHFFFAOYSA-N
XLogP3.02
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.02
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-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea
CID 7615942
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
CID 53414703
1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea
CID 7615931
1-(1H-indol-3-yl)-3-(2-morpholin-4-ylethyl)urea
CID 7615967
1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
CID 7615867
1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea
CID 108868960
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
N-[(2R)-5-(diethylamino)pentan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117299
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea
CID 7616000
1-(1H-indol-4-yl)-3-pentylurea
CID 51132800

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea (CID 7615961) is 1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea is CCN(CC)CCCNC(=O)Nc1c[nH]c2ccccc12.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea?
The InChIKey is XNOKZYDJLSXNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-20(4-2)11-7-10-17-16(21)19-15-12-18-14-9-6-5-8-13(14)15/h5-6,8-9,12,18H,3-4,7,10-11H2,1-2H3,(H2,17,19,21).
What are the key properties of 1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea?
1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea has a molecular weight of 288.39 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea is sourced from PubChem (CID 7615961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).