N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide

C17H18N2O — CID 115532673

IUPACN-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide
SMILESC#CCN(CC1CC1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2O/c1-2-9-19(12-13-7-8-13)17(20)10-14-11-18-16-6-4-3-5-15(14)16/h1,3-6,11,13,18H,7-10,12H2
InChIKeyAENAQPQYBQGNPI-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.58
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide

N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide (PubChem CID 115532673) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide
PubChem CID115532673
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide
SMILESC#CCN(CC1CC1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2O/c1-2-9-19(12-13-7-8-13)17(20)10-14-11-18-16-6-4-3-5-15(14)16/h1,3-6,11,13,18H,7-10,12H2
InChIKeyAENAQPQYBQGNPI-UHFFFAOYSA-N
XLogP2.58
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid
CID 43655190
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide
CID 113330077
N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 42778803
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 42778811
1-(1H-indol-3-yl)but-3-yn-2-one
CID 175799304
1-cyclopentyl-2-(1H-indol-3-yl)ethanone
CID 126509630
N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide
CID 115549862
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 24707532
2-[(4-oxo-1H-quinoline-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 79271415
N-cyclopropyl-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46124380
4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one
CID 11817694

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide (CID 115532673) is N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide is C#CCN(CC1CC1)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide?
The InChIKey is AENAQPQYBQGNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-9-19(12-13-7-8-13)17(20)10-14-11-18-16-6-4-3-5-15(14)16/h1,3-6,11,13,18H,7-10,12H2.
What are the key properties of N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide?
N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide has a molecular weight of 266.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 115532673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).