N-cyclooctyl-2-[[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]amino]acetamide

C18H35N3O2 — CID 50964979

IUPACN-cyclooctyl-2-[[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]amino]acetamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NCC(=O)NC1CCCCCCC1
InChIInChI=1S/C18H35N3O2/c1-14(2)21-12-16(17(13-21)23-3)19-11-18(22)20-15-9-7-5-4-6-8-10-15/h14-17,19H,4-13H2,1-3H3,(H,20,22)/t16-,17-/m0/s1
InChIKeyRUFPAWQFMLYEPN-IRXDYDNUSA-N
MW325.50 g/mol
LogP1.91
Rot. Bonds6

About N-cyclooctyl-2-[[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]amino]acetamide

N-cyclooctyl-2-[[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]amino]acetamide (PubChem CID 50964979) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-cyclooctyl-2-[[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]amino]acetamide
PubChem CID50964979
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC NameN-cyclooctyl-2-[[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]amino]acetamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NCC(=O)NC1CCCCCCC1
InChIInChI=1S/C18H35N3O2/c1-14(2)21-12-16(17(13-21)23-3)19-11-18(22)20-15-9-7-5-4-6-8-10-15/h14-17,19H,4-13H2,1-3H3,(H,20,22)/t16-,17-/m0/s1
InChIKeyRUFPAWQFMLYEPN-IRXDYDNUSA-N
XLogP1.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]amino]acetamide?
The IUPAC name of N-cyclooctyl-2-[[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]amino]acetamide (CID 50964979) is N-cyclooctyl-2-[[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]amino]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]amino]acetamide?
The canonical SMILES for N-cyclooctyl-2-[[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]amino]acetamide is CO[C@H]1CN(C(C)C)C[C@@H]1NCC(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]amino]acetamide?
The InChIKey is RUFPAWQFMLYEPN-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-14(2)21-12-16(17(13-21)23-3)19-11-18(22)20-15-9-7-5-4-6-8-10-15/h14-17,19H,4-13H2,1-3H3,(H,20,22)/t16-,17-/m0/s1.
What are the key properties of N-cyclooctyl-2-[[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]amino]acetamide?
N-cyclooctyl-2-[[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]amino]acetamide has a molecular weight of 325.50 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]amino]acetamide is sourced from PubChem (CID 50964979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).