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

C16H20N2O — CID 113209079

IUPACN-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCCC(C)NC(=O)C1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H20N2O/c1-3-11(2)18-15(19)16(8-9-16)13-10-17-14-7-5-4-6-12(13)14/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyFNINWVCBNQLFHU-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.11
Rot. Bonds4

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

N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 113209079) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID113209079
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCCC(C)NC(=O)C1(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H20N2O/c1-3-11(2)18-15(19)16(8-9-16)13-10-17-14-7-5-4-6-12(13)14/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyFNINWVCBNQLFHU-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113209078
1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113209181
1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide
CID 113209076
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117283
1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 113209182
1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea
CID 7615931
N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189
ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 113209136
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
1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 113209224

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide (CID 113209079) is N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide is CCC(C)NC(=O)C1(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is FNINWVCBNQLFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-11(2)18-15(19)16(8-9-16)13-10-17-14-7-5-4-6-12(13)14/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide?
N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113209079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).