2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C18H26N2O — CID 98750995

IUPAC2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESC[C@H](C1CC1)N(C)CC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C18H26N2O/c1-13(14-10-11-14)20(2)12-18(21)19-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,13-14,17H,5,7,9-12H2,1-2H3,(H,19,21)/t13-,17+/m1/s1
InChIKeySWXQSJBSIVRICS-DYVFJYSZSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds5

About 2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 98750995) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID98750995
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESC[C@H](C1CC1)N(C)CC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C18H26N2O/c1-13(14-10-11-14)20(2)12-18(21)19-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,13-14,17H,5,7,9-12H2,1-2H3,(H,19,21)/t13-,17+/m1/s1
InChIKeySWXQSJBSIVRICS-DYVFJYSZSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 98750995) is 2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is C[C@H](C1CC1)N(C)CC(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is SWXQSJBSIVRICS-DYVFJYSZSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(14-10-11-14)20(2)12-18(21)19-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,13-14,17H,5,7,9-12H2,1-2H3,(H,19,21)/t13-,17+/m1/s1.
What are the key properties of 2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 286.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 98750995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).