2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C21H29N3O2 — CID 52511480

IUPAC2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CN(C1CC1)[C@@H]1CCCc2ccccc21)NCC(=O)N1CCCC1
InChIInChI=1S/C21H29N3O2/c25-20(22-14-21(26)23-12-3-4-13-23)15-24(17-10-11-17)19-9-5-7-16-6-1-2-8-18(16)19/h1-2,6,8,17,19H,3-5,7,9-15H2,(H,22,25)/t19-/m1/s1
InChIKeyVVKTVLPQXZXHST-LJQANCHMSA-N
MW355.48 g/mol
LogP2.27
Rot. Bonds6

About 2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 52511480) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID52511480
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CN(C1CC1)[C@@H]1CCCc2ccccc21)NCC(=O)N1CCCC1
InChIInChI=1S/C21H29N3O2/c25-20(22-14-21(26)23-12-3-4-13-23)15-24(17-10-11-17)19-9-5-7-16-6-1-2-8-18(16)19/h1-2,6,8,17,19H,3-5,7,9-15H2,(H,22,25)/t19-/m1/s1
InChIKeyVVKTVLPQXZXHST-LJQANCHMSA-N
XLogP2.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 52511480) is 2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is O=C(CN(C1CC1)[C@@H]1CCCc2ccccc21)NCC(=O)N1CCCC1.
What is the InChIKey of 2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is VVKTVLPQXZXHST-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20(22-14-21(26)23-12-3-4-13-23)15-24(17-10-11-17)19-9-5-7-16-6-1-2-8-18(16)19/h1-2,6,8,17,19H,3-5,7,9-15H2,(H,22,25)/t19-/m1/s1.
What are the key properties of 2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 355.48 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 52511480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).