N-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide

C17H21N3O — CID 51097225

IUPACN-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide
SMILESN#CCCNC(=O)CN(C1CC1)C1CCc2ccccc21
InChIInChI=1S/C17H21N3O/c18-10-3-11-19-17(21)12-20(14-7-8-14)16-9-6-13-4-1-2-5-15(13)16/h1-2,4-5,14,16H,3,6-9,11-12H2,(H,19,21)
InChIKeyJCRHVXYDUCCMEZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.17
Rot. Bonds6

About N-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide

N-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide (PubChem CID 51097225) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide
PubChem CID51097225
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide
SMILESN#CCCNC(=O)CN(C1CC1)C1CCc2ccccc21
InChIInChI=1S/C17H21N3O/c18-10-3-11-19-17(21)12-20(14-7-8-14)16-9-6-13-4-1-2-5-15(13)16/h1-2,4-5,14,16H,3,6-9,11-12H2,(H,19,21)
InChIKeyJCRHVXYDUCCMEZ-UHFFFAOYSA-N
XLogP2.17
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide
CID 124832179
N-(5-bromo-2-pyridinyl)-2-[cyclopropyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]acetamide
CID 95164536
2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 52511480
N-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 43410832
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-ethylacetamide
CID 134043159
2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide
CID 154748560
2-[2,3-dihydro-1H-inden-1-yl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 65059735
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 37058374
N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126680
3-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 56525625
N-(2-cyanophenyl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 56525567
2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide
CID 60514069

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide (CID 51097225) is N-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide is N#CCCNC(=O)CN(C1CC1)C1CCc2ccccc21.
What is the InChIKey of N-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide?
The InChIKey is JCRHVXYDUCCMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-10-3-11-19-17(21)12-20(14-7-8-14)16-9-6-13-4-1-2-5-15(13)16/h1-2,4-5,14,16H,3,6-9,11-12H2,(H,19,21).
What are the key properties of N-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide?
N-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetamide is sourced from PubChem (CID 51097225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).