methyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid

C14H18N2O2 — CID 143093379

IUPACmethyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid
SMILESCCCc1ccc2[nH]cc(CN(C)C(=O)O)c2c1
InChIInChI=1S/C14H18N2O2/c1-3-4-10-5-6-13-12(7-10)11(8-15-13)9-16(2)14(17)18/h5-8,15H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyUBDDVBXLBCYAPV-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.23
Rot. Bonds4

About methyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid

methyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid (PubChem CID 143093379) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid
PubChem CID143093379
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namemethyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid
SMILESCCCc1ccc2[nH]cc(CN(C)C(=O)O)c2c1
InChIInChI=1S/C14H18N2O2/c1-3-4-10-5-6-13-12(7-10)11(8-15-13)9-16(2)14(17)18/h5-8,15H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyUBDDVBXLBCYAPV-UHFFFAOYSA-N
XLogP3.23
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine
CID 175502813
butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate
CID 139908727
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
3-propyl-1H-indol-5-ol
CID 15366338
2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile
CID 170886401
N-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide
CID 174336078
2-(5-methoxy-1H-indol-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 78872752
3-ethyl-1H-indole-5-carboxylic acid
CID 70338709
[3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol
CID 168731366
6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 118577946
2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
CID 14180980
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;oxalic acid;hydrate
CID 67698369

Frequently Asked Questions

What is the IUPAC name of methyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid?
The IUPAC name of methyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid (CID 143093379) is methyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid.
What is the SMILES notation for methyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid?
The canonical SMILES for methyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid is CCCc1ccc2[nH]cc(CN(C)C(=O)O)c2c1.
What is the InChIKey of methyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid?
The InChIKey is UBDDVBXLBCYAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-4-10-5-6-13-12(7-10)11(8-15-13)9-16(2)14(17)18/h5-8,15H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of methyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid?
methyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid has a molecular weight of 246.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid is sourced from PubChem (CID 143093379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).