N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide

C16H20N2O2 — CID 43583021

IUPACN-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide
SMILESO=C(NCCCOCC1CC1)c1cccc2[nH]ccc12
InChIInChI=1S/C16H20N2O2/c19-16(18-8-2-10-20-11-12-5-6-12)14-3-1-4-15-13(14)7-9-17-15/h1,3-4,7,9,12,17H,2,5-6,8,10-11H2,(H,18,19)
InChIKeyCBSMXYLKNWLYCV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.71
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide

N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide (PubChem CID 43583021) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide
PubChem CID43583021
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide
SMILESO=C(NCCCOCC1CC1)c1cccc2[nH]ccc12
InChIInChI=1S/C16H20N2O2/c19-16(18-8-2-10-20-11-12-5-6-12)14-3-1-4-15-13(14)7-9-17-15/h1,3-4,7,9,12,17H,2,5-6,8,10-11H2,(H,18,19)
InChIKeyCBSMXYLKNWLYCV-UHFFFAOYSA-N
XLogP2.71
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide
CID 43596537
N-(3-propan-2-yloxypropyl)-1H-indole-4-carboxamide
CID 60865335
methyl 4-(1H-indole-4-carbonylamino)butanoate
CID 60864608
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide
CID 63832136
2-anilino-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 25471927
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
CID 103721268
N-[3-(cyclopropylmethoxy)propyl]-2-hydroxy-3-nitrobenzamide
CID 103746319
N-[3-(cyclopropylmethoxy)propyl]-2,3,4-trimethoxybenzamide
CID 46613320
N-cyclopentyl-1H-indole-4-carboxamide
CID 43582325
2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide
CID 18168914
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 86992805
1H-indole-4-carbohydrazide
CID 43316644

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide (CID 43583021) is N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide is O=C(NCCCOCC1CC1)c1cccc2[nH]ccc12.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide?
The InChIKey is CBSMXYLKNWLYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(18-8-2-10-20-11-12-5-6-12)14-3-1-4-15-13(14)7-9-17-15/h1,3-4,7,9,12,17H,2,5-6,8,10-11H2,(H,18,19).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide?
N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 43583021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).