N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide

C14H18N2O2 — CID 110848409

IUPACN-butan-2-yl-7-methoxy-1H-indole-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2cccc(OC)c2[nH]1
InChIInChI=1S/C14H18N2O2/c1-4-9(2)15-14(17)11-8-10-6-5-7-12(18-3)13(10)16-11/h5-9,16H,4H2,1-3H3,(H,15,17)
InChIKeyVMPUSQVQZXAXIQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.70
Rot. Bonds4

About N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide

N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide (PubChem CID 110848409) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-7-methoxy-1H-indole-2-carboxamide
PubChem CID110848409
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-butan-2-yl-7-methoxy-1H-indole-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2cccc(OC)c2[nH]1
InChIInChI=1S/C14H18N2O2/c1-4-9(2)15-14(17)11-8-10-6-5-7-12(18-3)13(10)16-11/h5-9,16H,4H2,1-3H3,(H,15,17)
InChIKeyVMPUSQVQZXAXIQ-UHFFFAOYSA-N
XLogP2.70
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-N-phenyl-1H-indole-2-carboxamide
CID 110856487
5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide
CID 77386847
N-butan-2-yl-2-methoxybenzamide
CID 3117660
7-methoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 110851880
N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 110833457
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
7-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indole-2-carboxamide
CID 166386581
N-ethyl-1-(7-methoxy-1H-indol-2-yl)ethanamine
CID 65332606
N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide
CID 41370948
7-methoxy-N-methyl-N-phenyl-1H-indole-2-carboxamide
CID 110856846
N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
methyl 2-amino-3-(7-methoxy-1H-indol-2-yl)propanoate
CID 170884501

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide (CID 110848409) is N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide is CCC(C)NC(=O)c1cc2cccc(OC)c2[nH]1.
What is the InChIKey of N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide?
The InChIKey is VMPUSQVQZXAXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-9(2)15-14(17)11-8-10-6-5-7-12(18-3)13(10)16-11/h5-9,16H,4H2,1-3H3,(H,15,17).
What are the key properties of N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide?
N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 110848409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).