N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide

C14H18N2O — CID 80565251

IUPACN-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
SMILESCN(CC1CC1)C(=O)C1CNc2ccccc21
InChIInChI=1S/C14H18N2O/c1-16(9-10-6-7-10)14(17)12-8-15-13-5-3-2-4-11(12)13/h2-5,10,12,15H,6-9H2,1H3
InChIKeyRZCQPCUUWLLDPT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.06
Rot. Bonds3

About N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide

N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80565251) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80565251
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
SMILESCN(CC1CC1)C(=O)C1CNc2ccccc21
InChIInChI=1S/C14H18N2O/c1-16(9-10-6-7-10)14(17)12-8-15-13-5-3-2-4-11(12)13/h2-5,10,12,15H,6-9H2,1H3
InChIKeyRZCQPCUUWLLDPT-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide (CID 80565251) is N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide is CN(CC1CC1)C(=O)C1CNc2ccccc21.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is RZCQPCUUWLLDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16(9-10-6-7-10)14(17)12-8-15-13-5-3-2-4-11(12)13/h2-5,10,12,15H,6-9H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide?
N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80565251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).