N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide

C14H18N2O2 — CID 53348431

IUPACN-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H](C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-10(16-14(17)9-18-2)7-11-8-15-13-6-4-3-5-12(11)13/h3-6,8,10,15H,7,9H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyUHHVHXBITOWZME-SNVBAGLBSA-N
MW246.31 g/mol
LogP1.86
Rot. Bonds5

About N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide

N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide (PubChem CID 53348431) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
PubChem CID53348431
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H](C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-10(16-14(17)9-18-2)7-11-8-15-13-6-4-3-5-12(11)13/h3-6,8,10,15H,7,9H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyUHHVHXBITOWZME-SNVBAGLBSA-N
XLogP1.86
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide
CID 138693223
methyl 3-[1-(1H-indol-3-yl)propan-2-ylamino]-2-methylpropanoate
CID 146188971
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
(2S)-3-(1H-indol-3-yl)-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
CID 59096141
sodium 3-[2-(3-sulfosulfanylpropanoylamino)propyl]-1H-indole
CID 126465875
methyl (2S)-2-[[(2S)-2-[(2-aminooxyacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 170262354

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide (CID 53348431) is N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide is COCC(=O)N[C@H](C)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide?
The InChIKey is UHHVHXBITOWZME-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(16-14(17)9-18-2)7-11-8-15-13-6-4-3-5-12(11)13/h3-6,8,10,15H,7,9H2,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide?
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide has a molecular weight of 246.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 53348431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).