N-(1H-indol-4-ylmethyl)propanamide

C12H14N2O — CID 176935116

IUPACN-(1H-indol-4-ylmethyl)propanamide
SMILESCCC(=O)NCc1cccc2[nH]ccc12
InChIInChI=1S/C12H14N2O/c1-2-12(15)14-8-9-4-3-5-11-10(9)6-7-13-11/h3-7,13H,2,8H2,1H3,(H,14,15)
InChIKeyQIVIUYWQYGXUKB-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.19
Rot. Bonds3

About N-(1H-indol-4-ylmethyl)propanamide

N-(1H-indol-4-ylmethyl)propanamide (PubChem CID 176935116) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)propanamide
PubChem CID176935116
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-(1H-indol-4-ylmethyl)propanamide
SMILESCCC(=O)NCc1cccc2[nH]ccc12
InChIInChI=1S/C12H14N2O/c1-2-12(15)14-8-9-4-3-5-11-10(9)6-7-13-11/h3-7,13H,2,8H2,1H3,(H,14,15)
InChIKeyQIVIUYWQYGXUKB-UHFFFAOYSA-N
XLogP2.19
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688766
1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea
CID 121496080
N-ethyl-2-(1H-indol-4-ylmethylamino)-N-methylacetamide
CID 104923370
N-cyclopropyl-2-(1H-indol-4-ylmethylamino)acetamide
CID 63000574
N-(2-hydroxyphenyl)-2-(1H-indol-4-yl)acetamide
CID 139642119
N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide
CID 119109918
N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide
CID 171059896
N-[3-(1H-indol-4-ylmethylamino)propyl]ethanesulfonamide
CID 119110562
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
methyl 3-[(1H-indol-4-ylmethylcarbamoylamino)methyl]-4-methylbenzoate
CID 166389016
N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
CID 53160301
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)propanamide?
The IUPAC name of N-(1H-indol-4-ylmethyl)propanamide (CID 176935116) is N-(1H-indol-4-ylmethyl)propanamide.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)propanamide?
The canonical SMILES for N-(1H-indol-4-ylmethyl)propanamide is CCC(=O)NCc1cccc2[nH]ccc12.
What is the InChIKey of N-(1H-indol-4-ylmethyl)propanamide?
The InChIKey is QIVIUYWQYGXUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-12(15)14-8-9-4-3-5-11-10(9)6-7-13-11/h3-7,13H,2,8H2,1H3,(H,14,15).
What are the key properties of N-(1H-indol-4-ylmethyl)propanamide?
N-(1H-indol-4-ylmethyl)propanamide has a molecular weight of 202.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)propanamide is sourced from PubChem (CID 176935116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).