N-(dicyclopropylmethyl)-4-oxo-4-[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]butanamide

C23H35N3O3 — CID 10692448

IUPACN-(dicyclopropylmethyl)-4-oxo-4-[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]butanamide
SMILESO=C(CCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1)NC(C1CC1)C1CC1
InChIInChI=1S/C23H35N3O3/c27-19(24-21(15-3-4-15)16-5-6-16)11-12-20(28)26-18-9-7-17(8-10-18)22(26)23(29)25-13-1-2-14-25/h15-18,21-22H,1-14H2,(H,24,27)/t17?,18?,22-/m0/s1
InChIKeyHDYNMHHCTKXZAW-IRZJEQJZSA-N
MW401.55 g/mol
LogP2.46
Rot. Bonds7

About N-(dicyclopropylmethyl)-4-oxo-4-[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]butanamide

N-(dicyclopropylmethyl)-4-oxo-4-[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]butanamide (PubChem CID 10692448) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-4-oxo-4-[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]butanamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-4-oxo-4-[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]butanamide
PubChem CID10692448
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC NameN-(dicyclopropylmethyl)-4-oxo-4-[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]butanamide
SMILESO=C(CCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1)NC(C1CC1)C1CC1
InChIInChI=1S/C23H35N3O3/c27-19(24-21(15-3-4-15)16-5-6-16)11-12-20(28)26-18-9-7-17(8-10-18)22(26)23(29)25-13-1-2-14-25/h15-18,21-22H,1-14H2,(H,24,27)/t17?,18?,22-/m0/s1
InChIKeyHDYNMHHCTKXZAW-IRZJEQJZSA-N
XLogP2.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-4-oxo-4-[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]butanamide?
The IUPAC name of N-(dicyclopropylmethyl)-4-oxo-4-[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]butanamide (CID 10692448) is N-(dicyclopropylmethyl)-4-oxo-4-[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]butanamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-4-oxo-4-[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]butanamide?
The canonical SMILES for N-(dicyclopropylmethyl)-4-oxo-4-[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]butanamide is O=C(CCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-4-oxo-4-[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]butanamide?
The InChIKey is HDYNMHHCTKXZAW-IRZJEQJZSA-N. The full InChI is InChI=1S/C23H35N3O3/c27-19(24-21(15-3-4-15)16-5-6-16)11-12-20(28)26-18-9-7-17(8-10-18)22(26)23(29)25-13-1-2-14-25/h15-18,21-22H,1-14H2,(H,24,27)/t17?,18?,22-/m0/s1.
What are the key properties of N-(dicyclopropylmethyl)-4-oxo-4-[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]butanamide?
N-(dicyclopropylmethyl)-4-oxo-4-[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]butanamide has a molecular weight of 401.55 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-4-oxo-4-[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]butanamide is sourced from PubChem (CID 10692448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).