(2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide

C19H21N3O — CID 95586075

IUPAC(2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide
SMILESCc1[nH]c2ccc(CN[C@H](C(N)=O)c3ccccc3)cc2c1C
InChIInChI=1S/C19H21N3O/c1-12-13(2)22-17-9-8-14(10-16(12)17)11-21-18(19(20)23)15-6-4-3-5-7-15/h3-10,18,21-22H,11H2,1-2H3,(H2,20,23)/t18-/m0/s1
InChIKeyNMSWRDFVSDJVGK-SFHVURJKSA-N
MW307.40 g/mol
LogP3.10
Rot. Bonds5

About (2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide

(2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide (PubChem CID 95586075) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide
PubChem CID95586075
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide
SMILESCc1[nH]c2ccc(CN[C@H](C(N)=O)c3ccccc3)cc2c1C
InChIInChI=1S/C19H21N3O/c1-12-13(2)22-17-9-8-14(10-16(12)17)11-21-18(19(20)23)15-6-4-3-5-7-15/h3-10,18,21-22H,11H2,1-2H3,(H2,20,23)/t18-/m0/s1
InChIKeyNMSWRDFVSDJVGK-SFHVURJKSA-N
XLogP3.10
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide
CID 48561239
methyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate
CID 45252183
2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide
CID 56552524
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853
2-[[4-(ethoxymethyl)phenyl]methylamino]-2-phenylacetamide
CID 56811841
(2S)-2-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methylamino]-2-phenylacetamide
CID 95302590
2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-2-phenylacetamide;methanesulfonic acid
CID 87877252
4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide
CID 129206265
O-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine
CID 117281978
2-(benzylamino)-2-(3-methoxyphenyl)acetamide
CID 10849658
(2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide
CID 151046372

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide (CID 95586075) is (2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide is Cc1[nH]c2ccc(CN[C@H](C(N)=O)c3ccccc3)cc2c1C.
What is the InChIKey of (2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide?
The InChIKey is NMSWRDFVSDJVGK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N3O/c1-12-13(2)22-17-9-8-14(10-16(12)17)11-21-18(19(20)23)15-6-4-3-5-7-15/h3-10,18,21-22H,11H2,1-2H3,(H2,20,23)/t18-/m0/s1.
What are the key properties of (2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide?
(2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide has a molecular weight of 307.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide is sourced from PubChem (CID 95586075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).