3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide

C18H25N3O — CID 119778828

IUPAC3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C18H25N3O/c19-15-7-3-5-13(11-15)18(22)20-10-4-6-14-12-21-17-9-2-1-8-16(14)17/h1-2,8-9,12-13,15,21H,3-7,10-11,19H2,(H,20,22)
InChIKeyVITGXZFBHAUMNT-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.73
Rot. Bonds5

About 3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide

3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide (PubChem CID 119778828) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide
PubChem CID119778828
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C18H25N3O/c19-15-7-3-5-13(11-15)18(22)20-10-4-6-14-12-21-17-9-2-1-8-16(14)17/h1-2,8-9,12-13,15,21H,3-7,10-11,19H2,(H,20,22)
InChIKeyVITGXZFBHAUMNT-UHFFFAOYSA-N
XLogP2.73
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.73
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

3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide
CID 119320797
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119320799
1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122001294
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
CID 119778812
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119835113
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
(2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 56722736

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide (CID 119778828) is 3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCCCc2c[nH]c3ccccc23)C1.
What is the InChIKey of 3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide?
The InChIKey is VITGXZFBHAUMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c19-15-7-3-5-13(11-15)18(22)20-10-4-6-14-12-21-17-9-2-1-8-16(14)17/h1-2,8-9,12-13,15,21H,3-7,10-11,19H2,(H,20,22).
What are the key properties of 3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide?
3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119778828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).