N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C20H29NO — CID 66761938

IUPACN-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)NC2CCc3ccccc32)C1
InChIInChI=1S/C20H29NO/c1-13(2)16-10-8-14(3)12-18(16)20(22)21-19-11-9-15-6-4-5-7-17(15)19/h4-7,13-14,16,18-19H,8-12H2,1-3H3,(H,21,22)
InChIKeyZFAAYQCXMZMQLR-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.50
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 66761938) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID66761938
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)NC2CCc3ccccc32)C1
InChIInChI=1S/C20H29NO/c1-13(2)16-10-8-14(3)12-18(16)20(22)21-19-11-9-15-6-4-5-7-17(15)19/h4-7,13-14,16,18-19H,8-12H2,1-3H3,(H,21,22)
InChIKeyZFAAYQCXMZMQLR-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624
(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 58330084
5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide
CID 175475904
2-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 64824104
cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124670671
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
CID 91604695
(1R,2S,5R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992313
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66831556
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 169225329
methyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]benzoate
CID 69229253

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 66761938) is N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC1CCC(C(C)C)C(C(=O)NC2CCc3ccccc32)C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is ZFAAYQCXMZMQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-13(2)16-10-8-14(3)12-18(16)20(22)21-19-11-9-15-6-4-5-7-17(15)19/h4-7,13-14,16,18-19H,8-12H2,1-3H3,(H,21,22).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 299.46 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 66761938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).