N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide

C18H26N2O3 — CID 71053168

IUPACN-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide
SMILESCCC(=O)NC(C(=O)NC1Cc2ccccc2[C@H]1O)C(C)(C)C
InChIInChI=1S/C18H26N2O3/c1-5-14(21)20-16(18(2,3)4)17(23)19-13-10-11-8-6-7-9-12(11)15(13)22/h6-9,13,15-16,22H,5,10H2,1-4H3,(H,19,23)(H,20,21)/t13?,15-,16?/m1/s1
InChIKeyVHCRBTHMUUIIOW-OGVSOVDVSA-N
MW318.42 g/mol
LogP1.70
Rot. Bonds4

About N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide

N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide (PubChem CID 71053168) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide.

Molecular Properties

Compound NameN-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide
PubChem CID71053168
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide
SMILESCCC(=O)NC(C(=O)NC1Cc2ccccc2[C@H]1O)C(C)(C)C
InChIInChI=1S/C18H26N2O3/c1-5-14(21)20-16(18(2,3)4)17(23)19-13-10-11-8-6-7-9-12(11)15(13)22/h6-9,13,15-16,22H,5,10H2,1-4H3,(H,19,23)(H,20,21)/t13?,15-,16?/m1/s1
InChIKeyVHCRBTHMUUIIOW-OGVSOVDVSA-N
XLogP1.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide with MolForge

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Related Compounds

[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 69464316
N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 130969150
3,3-difluoro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2,2-dimethylpropanamide
CID 124883091
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide
CID 165456832
N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-(4-methoxyphenyl)acetamide
CID 97063534
N-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(4-methoxyphenyl)acetamide
CID 71913320
N-[4-[[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823686
N-[4-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823685
N-[4-[[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823688
N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methyl-2-(oxan-4-yl)propanamide
CID 124742204
2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 164637304

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide?
The IUPAC name of N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide (CID 71053168) is N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide.
What is the SMILES notation for N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide?
The canonical SMILES for N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide is CCC(=O)NC(C(=O)NC1Cc2ccccc2[C@H]1O)C(C)(C)C.
What is the InChIKey of N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide?
The InChIKey is VHCRBTHMUUIIOW-OGVSOVDVSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-5-14(21)20-16(18(2,3)4)17(23)19-13-10-11-8-6-7-9-12(11)15(13)22/h6-9,13,15-16,22H,5,10H2,1-4H3,(H,19,23)(H,20,21)/t13?,15-,16?/m1/s1.
What are the key properties of N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide?
N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide has a molecular weight of 318.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide is sourced from PubChem (CID 71053168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).