2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C17H26N2O2 — CID 120993751

IUPAC2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCOCC(N)C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21
InChIInChI=1S/C17H26N2O2/c1-11(2)13-8-7-12-5-4-6-16(14(12)9-13)19-17(20)15(18)10-21-3/h7-9,11,15-16H,4-6,10,18H2,1-3H3,(H,19,20)/t15?,16-/m1/s1
InChIKeyJNGNAWWFGDONRN-OEMAIJDKSA-N
MW290.41 g/mol
LogP2.28
Rot. Bonds5

About 2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 120993751) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID120993751
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCOCC(N)C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21
InChIInChI=1S/C17H26N2O2/c1-11(2)13-8-7-12-5-4-6-16(14(12)9-13)19-17(20)15(18)10-21-3/h7-9,11,15-16H,4-6,10,18H2,1-3H3,(H,19,20)/t15?,16-/m1/s1
InChIKeyJNGNAWWFGDONRN-OEMAIJDKSA-N
XLogP2.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 120993751) is 2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is COCC(N)C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21.
What is the InChIKey of 2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is JNGNAWWFGDONRN-OEMAIJDKSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11(2)13-8-7-12-5-4-6-16(14(12)9-13)19-17(20)15(18)10-21-3/h7-9,11,15-16H,4-6,10,18H2,1-3H3,(H,19,20)/t15?,16-/m1/s1.
What are the key properties of 2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 120993751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).