(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide

C15H22N2O2 — CID 106349732

IUPAC(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(C)C(CCO)NC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H22N2O2/c1-10(2)12(7-8-18)17-15(19)14-9-11-5-3-4-6-13(11)16-14/h3-6,10,12,14,16,18H,7-9H2,1-2H3,(H,17,19)/t12?,14-/m0/s1
InChIKeyVKTBJWZYBGMFSH-PYMCNQPYSA-N
MW262.35 g/mol
LogP1.55
Rot. Bonds5

About (2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 106349732) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID106349732
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC(C)C(CCO)NC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H22N2O2/c1-10(2)12(7-8-18)17-15(19)14-9-11-5-3-4-6-13(11)16-14/h3-6,10,12,14,16,18H,7-9H2,1-2H3,(H,17,19)/t12?,14-/m0/s1
InChIKeyVKTBJWZYBGMFSH-PYMCNQPYSA-N
XLogP1.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
(2S)-N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 66089072
N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106352920
N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 77048593
(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864201
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63843181
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76893181
(2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 106025761
N-[4-(furan-2-yl)butan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76896522
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006
(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 64599096

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide (CID 106349732) is (2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide is CC(C)C(CCO)NC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is VKTBJWZYBGMFSH-PYMCNQPYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)12(7-8-18)17-15(19)14-9-11-5-3-4-6-13(11)16-14/h3-6,10,12,14,16,18H,7-9H2,1-2H3,(H,17,19)/t12?,14-/m0/s1.
What are the key properties of (2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 106349732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).