N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide

C14H20N2O2 — CID 77048593

IUPACN-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCOCCC(C)NC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C14H20N2O2/c1-10(7-8-18-2)15-14(17)13-9-11-5-3-4-6-12(11)16-13/h3-6,10,13,16H,7-9H2,1-2H3,(H,15,17)
InChIKeySYMJECNKKNDUSD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.56
Rot. Bonds5

About N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide

N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 77048593) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID77048593
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCOCCC(C)NC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C14H20N2O2/c1-10(7-8-18-2)15-14(17)13-9-11-5-3-4-6-12(11)16-13/h3-6,10,13,16H,7-9H2,1-2H3,(H,15,17)
InChIKeySYMJECNKKNDUSD-UHFFFAOYSA-N
XLogP1.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid
CID 81084026
(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864201
N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892809
(2S)-N-pent-4-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 113466545
N-[4-(furan-2-yl)butan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76896522
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106349732
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63843181
N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 63926506
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-[1-(5-methylthiophen-2-yl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77044947

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide (CID 77048593) is N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide is COCCC(C)NC(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is SYMJECNKKNDUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(7-8-18-2)15-14(17)13-9-11-5-3-4-6-12(11)16-13/h3-6,10,13,16H,7-9H2,1-2H3,(H,15,17).
What are the key properties of N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide?
N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 77048593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).