N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide

C18H25N3O2 — CID 113210743

IUPACN-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc2[nH]cc(C3(C(=O)NCCCN(C)C)CC3)c2c1
InChIInChI=1S/C18H25N3O2/c1-21(2)10-4-9-19-17(22)18(7-8-18)15-12-20-16-6-5-13(23-3)11-14(15)16/h5-6,11-12,20H,4,7-10H2,1-3H3,(H,19,22)
InChIKeyZHOHGIWYPMMKAZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.28
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide

N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 113210743) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID113210743
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc2[nH]cc(C3(C(=O)NCCCN(C)C)CC3)c2c1
InChIInChI=1S/C18H25N3O2/c1-21(2)10-4-9-19-17(22)18(7-8-18)15-12-20-16-6-5-13(23-3)11-14(15)16/h5-6,11-12,20H,4,7-10H2,1-3H3,(H,19,22)
InChIKeyZHOHGIWYPMMKAZ-UHFFFAOYSA-N
XLogP2.28
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210779
N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210851
N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210143
1-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 113210764
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437951
methyl 4-[[1-(5-methoxy-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113210863
1-(5-methoxy-1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 113210901
1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113210870
1-(5-methoxy-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 113210773
N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210892
N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210875
1-(5-chloro-1H-indol-3-yl)-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113211006

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide (CID 113210743) is N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide is COc1ccc2[nH]cc(C3(C(=O)NCCCN(C)C)CC3)c2c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is ZHOHGIWYPMMKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-21(2)10-4-9-19-17(22)18(7-8-18)15-12-20-16-6-5-13(23-3)11-14(15)16/h5-6,11-12,20H,4,7-10H2,1-3H3,(H,19,22).
What are the key properties of N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide?
N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113210743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).