3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide

C16H24N2O — CID 115153778

IUPAC3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
SMILESCC(CN)C(=O)NCCc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H24N2O/c1-12(11-17)16(19)18-9-8-13-6-7-14-4-2-3-5-15(14)10-13/h6-7,10,12H,2-5,8-9,11,17H2,1H3,(H,18,19)
InChIKeyIDFZUPNBPBTIOT-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.82
Rot. Bonds5

About 3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide

3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide (PubChem CID 115153778) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
PubChem CID115153778
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
SMILESCC(CN)C(=O)NCCc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H24N2O/c1-12(11-17)16(19)18-9-8-13-6-7-14-4-2-3-5-15(14)10-13/h6-7,10,12H,2-5,8-9,11,17H2,1H3,(H,18,19)
InChIKeyIDFZUPNBPBTIOT-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82495829
3-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methylpropanamide
CID 115153791
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186693
ethyl N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamate
CID 110787782
2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 115219521
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride
CID 115194877
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopropanecarboxamide
CID 110787330
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]cyclobutanecarboxamide
CID 110787783
methyl (2R)-2-methyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propanoate
CID 159670756
2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 115240814
(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide
CID 8996376
2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propanamide
CID 16837096

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide (CID 115153778) is 3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide is CC(CN)C(=O)NCCc1ccc2c(c1)CCCC2.
What is the InChIKey of 3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
The InChIKey is IDFZUPNBPBTIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(11-17)16(19)18-9-8-13-6-7-14-4-2-3-5-15(14)10-13/h6-7,10,12H,2-5,8-9,11,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide has a molecular weight of 260.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide is sourced from PubChem (CID 115153778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).