N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide

C15H19NO3 — CID 142703369

IUPACN-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide
SMILESCOc1ccc2c(c1)[C@H](CCNC(=O)C(C)=O)CC2
InChIInChI=1S/C15H19NO3/c1-10(17)15(18)16-8-7-12-4-3-11-5-6-13(19-2)9-14(11)12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyHFJLLVFZFWWBRB-LBPRGKRZSA-N
MW261.32 g/mol
LogP1.82
Rot. Bonds5

About N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide

N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide (PubChem CID 142703369) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide
PubChem CID142703369
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide
SMILESCOc1ccc2c(c1)[C@H](CCNC(=O)C(C)=O)CC2
InChIInChI=1S/C15H19NO3/c1-10(17)15(18)16-8-7-12-4-3-11-5-6-13(19-2)9-14(11)12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyHFJLLVFZFWWBRB-LBPRGKRZSA-N
XLogP1.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide
CID 54317020
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 22922683
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide
CID 22922665
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide
CID 11076588
N-[2-(6-propoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide
CID 10912753
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide
CID 25271168
N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
CID 44582585
N-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide
CID 143796011
methyl 3-[2-(butanoylamino)ethyl]-2,3-dihydro-1H-indene-5-carboxylate
CID 22922688
N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide
CID 102013000

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide?
The IUPAC name of N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide (CID 142703369) is N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide.
What is the SMILES notation for N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide?
The canonical SMILES for N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide is COc1ccc2c(c1)[C@H](CCNC(=O)C(C)=O)CC2.
What is the InChIKey of N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide?
The InChIKey is HFJLLVFZFWWBRB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(17)15(18)16-8-7-12-4-3-11-5-6-13(19-2)9-14(11)12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide?
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide is sourced from PubChem (CID 142703369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).