2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide

C16H20N2O — CID 8681009

IUPAC2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(C)[C@H]1CCCc2ccccc21
InChIInChI=1S/C16H20N2O/c1-3-11-17-16(19)12-18(2)15-10-6-8-13-7-4-5-9-14(13)15/h1,4-5,7,9,15H,6,8,10-12H2,2H3,(H,17,19)/t15-/m0/s1
InChIKeyTWMQEJLTNRLDIO-HNNXBMFYSA-N
MW256.35 g/mol
LogP1.75
Rot. Bonds4

About 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide

2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide (PubChem CID 8681009) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide
PubChem CID8681009
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(C)[C@H]1CCCc2ccccc21
InChIInChI=1S/C16H20N2O/c1-3-11-17-16(19)12-18(2)15-10-6-8-13-7-4-5-9-14(13)15/h1,4-5,7,9,15H,6,8,10-12H2,2H3,(H,17,19)/t15-/m0/s1
InChIKeyTWMQEJLTNRLDIO-HNNXBMFYSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]acetamide
CID 8681103
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
N-(2-chlorophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260612
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-ethylacetamide
CID 134043159
N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093
N-(2,6-dimethylphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260596
N-(cyclopropylcarbamoyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260523
N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide
CID 9260477
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 51565254
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(phenylcarbamoyl)acetamide
CID 8680982
N-(cyclopentylcarbamoyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260380
N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 8681300

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide (CID 8681009) is 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide is C#CCNC(=O)CN(C)[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide?
The InChIKey is TWMQEJLTNRLDIO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-11-17-16(19)12-18(2)15-10-6-8-13-7-4-5-9-14(13)15/h1,4-5,7,9,15H,6,8,10-12H2,2H3,(H,17,19)/t15-/m0/s1.
What are the key properties of 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide?
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide has a molecular weight of 256.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 8681009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).