N-[4-(4-amino-2-oxobutyl)cyclohexyl]-2-(2-oxo-1,3-dihydroinden-5-yl)acetamide

C21H28N2O3 — CID 152957996

IUPACN-[4-(4-amino-2-oxobutyl)cyclohexyl]-2-(2-oxo-1,3-dihydroinden-5-yl)acetamide
SMILESNCCC(=O)CC1CCC(NC(=O)Cc2ccc3c(c2)CC(=O)C3)CC1
InChIInChI=1S/C21H28N2O3/c22-8-7-19(24)10-14-2-5-18(6-3-14)23-21(26)11-15-1-4-16-12-20(25)13-17(16)9-15/h1,4,9,14,18H,2-3,5-8,10-13,22H2,(H,23,26)
InChIKeyUPZYODCMVSQKDF-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.88
Rot. Bonds7

About N-[4-(4-amino-2-oxobutyl)cyclohexyl]-2-(2-oxo-1,3-dihydroinden-5-yl)acetamide

N-[4-(4-amino-2-oxobutyl)cyclohexyl]-2-(2-oxo-1,3-dihydroinden-5-yl)acetamide (PubChem CID 152957996) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[4-(4-amino-2-oxobutyl)cyclohexyl]-2-(2-oxo-1,3-dihydroinden-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-oxobutyl)cyclohexyl]-2-(2-oxo-1,3-dihydroinden-5-yl)acetamide
PubChem CID152957996
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[4-(4-amino-2-oxobutyl)cyclohexyl]-2-(2-oxo-1,3-dihydroinden-5-yl)acetamide
SMILESNCCC(=O)CC1CCC(NC(=O)Cc2ccc3c(c2)CC(=O)C3)CC1
InChIInChI=1S/C21H28N2O3/c22-8-7-19(24)10-14-2-5-18(6-3-14)23-21(26)11-15-1-4-16-12-20(25)13-17(16)9-15/h1,4,9,14,18H,2-3,5-8,10-13,22H2,(H,23,26)
InChIKeyUPZYODCMVSQKDF-UHFFFAOYSA-N
XLogP1.88
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
N-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide
CID 162051506
N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 115104820
N-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide
CID 158097257
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-(4-aminocyclohexyl)-2-(3-methylphenyl)acetamide
CID 62387693
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide
CID 119475463
N-cyclopentyl-3-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 60569006
N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide
CID 79036237
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-oxobutyl)cyclohexyl]-2-(2-oxo-1,3-dihydroinden-5-yl)acetamide?
The IUPAC name of N-[4-(4-amino-2-oxobutyl)cyclohexyl]-2-(2-oxo-1,3-dihydroinden-5-yl)acetamide (CID 152957996) is N-[4-(4-amino-2-oxobutyl)cyclohexyl]-2-(2-oxo-1,3-dihydroinden-5-yl)acetamide.
What is the SMILES notation for N-[4-(4-amino-2-oxobutyl)cyclohexyl]-2-(2-oxo-1,3-dihydroinden-5-yl)acetamide?
The canonical SMILES for N-[4-(4-amino-2-oxobutyl)cyclohexyl]-2-(2-oxo-1,3-dihydroinden-5-yl)acetamide is NCCC(=O)CC1CCC(NC(=O)Cc2ccc3c(c2)CC(=O)C3)CC1.
What is the InChIKey of N-[4-(4-amino-2-oxobutyl)cyclohexyl]-2-(2-oxo-1,3-dihydroinden-5-yl)acetamide?
The InChIKey is UPZYODCMVSQKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c22-8-7-19(24)10-14-2-5-18(6-3-14)23-21(26)11-15-1-4-16-12-20(25)13-17(16)9-15/h1,4,9,14,18H,2-3,5-8,10-13,22H2,(H,23,26).
What are the key properties of N-[4-(4-amino-2-oxobutyl)cyclohexyl]-2-(2-oxo-1,3-dihydroinden-5-yl)acetamide?
N-[4-(4-amino-2-oxobutyl)cyclohexyl]-2-(2-oxo-1,3-dihydroinden-5-yl)acetamide has a molecular weight of 356.47 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-oxobutyl)cyclohexyl]-2-(2-oxo-1,3-dihydroinden-5-yl)acetamide is sourced from PubChem (CID 152957996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).