(2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide

C13H17N2OP — CID 155048137

IUPAC(2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide
SMILESCN(C)C(=O)[C@H](P)c1cn(C)c2ccccc12
InChIInChI=1S/C13H17N2OP/c1-14(2)13(16)12(17)10-8-15(3)11-7-5-4-6-9(10)11/h4-8,12H,17H2,1-3H3/t12-/m1/s1
InChIKeyVZKYHVMOFNUJLL-GFCCVEGCSA-N
MW248.27 g/mol
LogP2.18
Rot. Bonds2

About (2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide

(2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide (PubChem CID 155048137) has the molecular formula C13H17N2OP and a molecular weight of 248.27 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide
PubChem CID155048137
Molecular FormulaC13H17N2OP
Molecular Weight248.27 g/mol
Exact Mass248.11
IUPAC Name(2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide
SMILESCN(C)C(=O)[C@H](P)c1cn(C)c2ccccc12
InChIInChI=1S/C13H17N2OP/c1-14(2)13(16)12(17)10-8-15(3)11-7-5-4-6-9(10)11/h4-8,12H,17H2,1-3H3/t12-/m1/s1
InChIKeyVZKYHVMOFNUJLL-GFCCVEGCSA-N
XLogP2.18
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N,N-dimethyl-2-(1-methylindol-3-yl)acetamide
CID 177442093
1-methyl-3-propan-2-ylindole
CID 10942942
1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine
CID 116915219
2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 116911472
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483
3-amino-N',N'-dimethyl-3-(1-methylindol-3-yl)propanehydrazide
CID 116850038
1-methyl-1-(1-methylindol-3-yl)urea
CID 115168227
(2R)-N,N-dimethyl-2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-phenylacetamide
CID 40938374
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068
1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide?
The IUPAC name of (2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide (CID 155048137) is (2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide is CN(C)C(=O)[C@H](P)c1cn(C)c2ccccc12.
What is the InChIKey of (2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide?
The InChIKey is VZKYHVMOFNUJLL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17N2OP/c1-14(2)13(16)12(17)10-8-15(3)11-7-5-4-6-9(10)11/h4-8,12H,17H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide?
(2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide has a molecular weight of 248.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide is sourced from PubChem (CID 155048137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).