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

C15H18N2O2 — CID 115182147

IUPAC1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCc1[nH]c2ccccc2c1N(C)C(=O)C1(CO)CC1
InChIInChI=1S/C15H18N2O2/c1-10-13(11-5-3-4-6-12(11)16-10)17(2)14(19)15(9-18)7-8-15/h3-6,16,18H,7-9H2,1-2H3
InChIKeyKZANFTKJUKWHQP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.21
Rot. Bonds3

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

1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 115182147) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID115182147
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCc1[nH]c2ccccc2c1N(C)C(=O)C1(CO)CC1
InChIInChI=1S/C15H18N2O2/c1-10-13(11-5-3-4-6-12(11)16-10)17(2)14(19)15(9-18)7-8-15/h3-6,16,18H,7-9H2,1-2H3
InChIKeyKZANFTKJUKWHQP-UHFFFAOYSA-N
XLogP2.21
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide
CID 115167052
2-hydroxy-N,2-dimethyl-N-(2-methyl-1H-indol-3-yl)propanamide
CID 115178660
ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate
CID 115141911
N-methyl-1-(2-methyl-1H-indol-3-yl)-N-phenylcyclopropane-1-carboxamide
CID 113211761
2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid
CID 115136494
3-[methyl-(2-methyl-1H-indol-3-yl)amino]butanoic acid
CID 117042118
1-(2-methyl-1H-indol-3-yl)-N,N-dipropylcyclopropane-1-carboxamide
CID 113211753
N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182178
3-[(2-methyl-1H-indol-3-yl)methyl]oxetane-3-carboxylic acid
CID 116930115
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
1-(hydroxymethyl)-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182456
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide (CID 115182147) is 1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide is Cc1[nH]c2ccccc2c1N(C)C(=O)C1(CO)CC1.
What is the InChIKey of 1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is KZANFTKJUKWHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-13(11-5-3-4-6-12(11)16-10)17(2)14(19)15(9-18)7-8-15/h3-6,16,18H,7-9H2,1-2H3.
What are the key properties of 1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide?
1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115182147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).