trans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide

C19H28N2O — CID 97232196

IUPACtrans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCC[C@@H](NC2Cc3ccccc3C2)C1
InChIInChI=1S/C19H28N2O/c1-13(2)20-19(22)16-8-5-9-17(12-16)21-18-10-14-6-3-4-7-15(14)11-18/h3-4,6-7,13,16-18,21H,5,8-12H2,1-2H3,(H,20,22)/t16-,17-/m1/s1
InChIKeyKEBYQLBSRVPUQQ-IAGOWNOFSA-N
MW300.45 g/mol
LogP2.83
Rot. Bonds4

About trans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide

trans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 97232196) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is trans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID97232196
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Nametrans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCC[C@@H](NC2Cc3ccccc3C2)C1
InChIInChI=1S/C19H28N2O/c1-13(2)20-19(22)16-8-5-9-17(12-16)21-18-10-14-6-3-4-7-15(14)11-18/h3-4,6-7,13,16-18,21H,5,8-12H2,1-2H3,(H,20,22)/t16-,17-/m1/s1
InChIKeyKEBYQLBSRVPUQQ-IAGOWNOFSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide with MolForge

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Related Compounds

N-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide
CID 84587926
N-[3-(2-methylpropyl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine
CID 107849963
4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
CID 86961225
N-(3-propan-2-ylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107448472
cis-(1R,3S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 124737514
N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide
CID 56791594
trans-(1S,3S)-3-[(4-oxo-3H-quinazolin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 136803514
trans-(1R,3R)-3-[(4-oxo-3H-quinazolin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 136803515
2-(4-chlorobenzoyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
CID 86962081
cis-(1S,3R)-3-[(5-bromopyrimidin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 95770562
1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 104694678
N-propan-2-yl-3-[[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]cyclohexane-1-carboxamide
CID 86962107

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide (CID 97232196) is trans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)NC(=O)[C@@H]1CCC[C@@H](NC2Cc3ccccc3C2)C1.
What is the InChIKey of trans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is KEBYQLBSRVPUQQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H28N2O/c1-13(2)20-19(22)16-8-5-9-17(12-16)21-18-10-14-6-3-4-7-15(14)11-18/h3-4,6-7,13,16-18,21H,5,8-12H2,1-2H3,(H,20,22)/t16-,17-/m1/s1.
What are the key properties of trans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide?
trans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(2,3-dihydro-1H-inden-2-ylamino)-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 97232196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).