1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide

C16H20N2O — CID 113209078

IUPAC1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)CNC(=O)C1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H20N2O/c1-11(2)9-18-15(19)16(7-8-16)13-10-17-14-6-4-3-5-12(13)14/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyLLQYZSHGIMKYSI-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.97
Rot. Bonds4

About 1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide

1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide (PubChem CID 113209078) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
PubChem CID113209078
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)CNC(=O)C1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H20N2O/c1-11(2)9-18-15(19)16(7-8-16)13-10-17-14-6-4-3-5-12(13)14/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyLLQYZSHGIMKYSI-UHFFFAOYSA-N
XLogP2.97
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209079
1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide
CID 113209076
1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113209181
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide
CID 113084663
1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 113209182
N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189
1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 113211115
N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209170
1-(1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 113209258
N-[2-(1H-indol-3-yl)ethyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210779
N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209251
1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 113209255

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide (CID 113209078) is 1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide is CC(C)CNC(=O)C1(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The InChIKey is LLQYZSHGIMKYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(2)9-18-15(19)16(7-8-16)13-10-17-14-6-4-3-5-12(13)14/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide?
1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113209078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).