N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide

C16H18N4O — CID 94824067

IUPACN,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide
SMILESC[C@@H]1Cc2ccccc2N1CCC(=O)N(CC#N)CC#N
InChIInChI=1S/C16H18N4O/c1-13-12-14-4-2-3-5-15(14)20(13)9-6-16(21)19(10-7-17)11-8-18/h2-5,13H,6,9-12H2,1H3/t13-/m1/s1
InChIKeyNWUQQQKXKUFXGN-CYBMUJFWSA-N
MW282.35 g/mol
LogP1.70
Rot. Bonds5

About N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide

N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide (PubChem CID 94824067) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide
PubChem CID94824067
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide
SMILESC[C@@H]1Cc2ccccc2N1CCC(=O)N(CC#N)CC#N
InChIInChI=1S/C16H18N4O/c1-13-12-14-4-2-3-5-15(14)20(13)9-6-16(21)19(10-7-17)11-8-18/h2-5,13H,6,9-12H2,1H3/t13-/m1/s1
InChIKeyNWUQQQKXKUFXGN-CYBMUJFWSA-N
XLogP1.70
TPSA71.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
CID 62613248
N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide
CID 109042621
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid
CID 124689456
1-cyano-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 60599448
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 110917258
1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109017603
N-cycloheptyl-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109031533
N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 55482360
1-(4-bromobutyl)-2-methyl-2,3-dihydroindole
CID 61286704
2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile
CID 65257939

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide?
The IUPAC name of N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide (CID 94824067) is N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide?
The canonical SMILES for N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide is C[C@@H]1Cc2ccccc2N1CCC(=O)N(CC#N)CC#N.
What is the InChIKey of N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide?
The InChIKey is NWUQQQKXKUFXGN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N4O/c1-13-12-14-4-2-3-5-15(14)20(13)9-6-16(21)19(10-7-17)11-8-18/h2-5,13H,6,9-12H2,1H3/t13-/m1/s1.
What are the key properties of N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide?
N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide has a molecular weight of 282.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide is sourced from PubChem (CID 94824067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).